N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide

C104H132N4O10 — CID 167319896

IUPACN-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide
SMILESCC(C)(C)CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)CC(C)(C)C)cc9)c(c2c45)c86)C(=O)N(C(CC2CCCC2)C(=O)NC(C)(C)C)C7=O)C(=O)N(C(CC2CCCC2)C(=O)NC(C)(C)C)C3=O)cc1
InChIInChI=1S/C104H132N4O10/c1-95(2,3)57-101(19,20)63-35-43-67(44-36-63)115-77-53-71-81-72(92(112)107(91(71)111)75(51-61-31-27-28-32-61)89(109)105-99(13,14)15)55-79(117-69-47-39-65(40-48-69)103(23,24)59-97(7,8)9)85-86-80(118-70-49-41-66(42-50-70)104(25,26)60-98(10,11)12)56-74-82-73(93(113)108(94(74)114)76(52-62-33-29-30-34-62)90(110)106-100(16,17)18)54-78(84(88(82)86)83(77)87(81)85)116-68-45-37-64(38-46-68)102(21,22)58-96(4,5)6/h35-50,53-56,61-62,75-76H,27-34,51-52,57-60H2,1-26H3,(H,105,109)(H,106,110)
InChIKeyAHDAXZZIHYIVTQ-UHFFFAOYSA-N
MW1598.22 g/mol
LogP26.68
Rot. Bonds24

About N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide

N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide (PubChem CID 167319896) has the molecular formula C104H132N4O10 and a molecular weight of 1598.22 g/mol. Its IUPAC name is N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide
PubChem CID167319896
Molecular FormulaC104H132N4O10
Molecular Weight1598.22 g/mol
Exact Mass1596.99
IUPAC NameN-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide
SMILESCC(C)(C)CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)CC(C)(C)C)cc9)c(c2c45)c86)C(=O)N(C(CC2CCCC2)C(=O)NC(C)(C)C)C7=O)C(=O)N(C(CC2CCCC2)C(=O)NC(C)(C)C)C3=O)cc1
InChIInChI=1S/C104H132N4O10/c1-95(2,3)57-101(19,20)63-35-43-67(44-36-63)115-77-53-71-81-72(92(112)107(91(71)111)75(51-61-31-27-28-32-61)89(109)105-99(13,14)15)55-79(117-69-47-39-65(40-48-69)103(23,24)59-97(7,8)9)85-86-80(118-70-49-41-66(42-50-70)104(25,26)60-98(10,11)12)56-74-82-73(93(113)108(94(74)114)76(52-62-33-29-30-34-62)90(110)106-100(16,17)18)54-78(84(88(82)86)83(77)87(81)85)116-68-45-37-64(38-46-68)102(21,22)58-96(4,5)6/h35-50,53-56,61-62,75-76H,27-34,51-52,57-60H2,1-26H3,(H,105,109)(H,106,110)
InChIKeyAHDAXZZIHYIVTQ-UHFFFAOYSA-N
XLogP26.68
TPSA169.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001598.22
LogP ≤ 526.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide?
The IUPAC name of N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide (CID 167319896) is N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide?
The canonical SMILES for N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide is CC(C)(C)CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)CC(C)(C)C)cc9)c(c2c45)c86)C(=O)N(C(CC2CCCC2)C(=O)NC(C)(C)C)C7=O)C(=O)N(C(CC2CCCC2)C(=O)NC(C)(C)C)C3=O)cc1.
What is the InChIKey of N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide?
The InChIKey is AHDAXZZIHYIVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H132N4O10/c1-95(2,3)57-101(19,20)63-35-43-67(44-36-63)115-77-53-71-81-72(92(112)107(91(71)111)75(51-61-31-27-28-32-61)89(109)105-99(13,14)15)55-79(117-69-47-39-65(40-48-69)103(23,24)59-97(7,8)9)85-86-80(118-70-49-41-66(42-50-70)104(25,26)60-98(10,11)12)56-74-82-73(93(113)108(94(74)114)76(52-62-33-29-30-34-62)90(110)106-100(16,17)18)54-78(84(88(82)86)83(77)87(81)85)116-68-45-37-64(38-46-68)102(21,22)58-96(4,5)6/h35-50,53-56,61-62,75-76H,27-34,51-52,57-60H2,1-26H3,(H,105,109)(H,106,110).
What are the key properties of N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide?
N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide has a molecular weight of 1598.22 g/mol, XLogP of 26.68, 24 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[18-[1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]-6,8,17,19-tetraoxo-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-3-cyclopentylpropanamide is sourced from PubChem (CID 167319896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).