N-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide

C64H56N4O10 — CID 167319937

IUPACN-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide
SMILESCCCN(C)C(=O)CN1C(=O)c2cc(Oc3cccc(C)c3)c3c4c(Oc5cccc(C)c5)cc5c6c(cc(Oc7cccc(C)c7)c(c7c(Oc8cccc(C)c8)cc(c2c37)C1=O)c64)C(=O)N(CC(=O)N(C)CCC)C5=O
InChIInChI=1S/C64H56N4O10/c1-9-23-65(7)51(69)33-67-61(71)43-29-47(75-39-19-11-15-35(3)25-39)55-57-49(77-41-21-13-17-37(5)27-41)31-45-54-46(64(74)68(63(45)73)34-52(70)66(8)24-10-2)32-50(78-42-22-14-18-38(6)28-42)58(60(54)57)56-48(76-40-20-12-16-36(4)26-40)30-44(62(67)72)53(43)59(55)56/h11-22,25-32H,9-10,23-24,33-34H2,1-8H3
InChIKeyDSDFVMBXTYUMMM-UHFFFAOYSA-N
MW1041.17 g/mol
LogP13.07
Rot. Bonds16

About N-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide

N-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide (PubChem CID 167319937) has the molecular formula C64H56N4O10 and a molecular weight of 1041.17 g/mol. Its IUPAC name is N-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide.

Molecular Properties

Compound NameN-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide
PubChem CID167319937
Molecular FormulaC64H56N4O10
Molecular Weight1041.17 g/mol
Exact Mass1040.40
IUPAC NameN-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide
SMILESCCCN(C)C(=O)CN1C(=O)c2cc(Oc3cccc(C)c3)c3c4c(Oc5cccc(C)c5)cc5c6c(cc(Oc7cccc(C)c7)c(c7c(Oc8cccc(C)c8)cc(c2c37)C1=O)c64)C(=O)N(CC(=O)N(C)CCC)C5=O
InChIInChI=1S/C64H56N4O10/c1-9-23-65(7)51(69)33-67-61(71)43-29-47(75-39-19-11-15-35(3)25-39)55-57-49(77-41-21-13-17-37(5)27-41)31-45-54-46(64(74)68(63(45)73)34-52(70)66(8)24-10-2)32-50(78-42-22-14-18-38(6)28-42)58(60(54)57)56-48(76-40-20-12-16-36(4)26-40)30-44(62(67)72)53(43)59(55)56/h11-22,25-32H,9-10,23-24,33-34H2,1-8H3
InChIKeyDSDFVMBXTYUMMM-UHFFFAOYSA-N
XLogP13.07
TPSA152.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.17
LogP ≤ 513.07
H-Bond Donors ≤ 50
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-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide?
The IUPAC name of N-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide (CID 167319937) is N-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide.
What is the SMILES notation for N-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide?
The canonical SMILES for N-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide is CCCN(C)C(=O)CN1C(=O)c2cc(Oc3cccc(C)c3)c3c4c(Oc5cccc(C)c5)cc5c6c(cc(Oc7cccc(C)c7)c(c7c(Oc8cccc(C)c8)cc(c2c37)C1=O)c64)C(=O)N(CC(=O)N(C)CCC)C5=O.
What is the InChIKey of N-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide?
The InChIKey is DSDFVMBXTYUMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N4O10/c1-9-23-65(7)51(69)33-67-61(71)43-29-47(75-39-19-11-15-35(3)25-39)55-57-49(77-41-21-13-17-37(5)27-41)31-45-54-46(64(74)68(63(45)73)34-52(70)66(8)24-10-2)32-50(78-42-22-14-18-38(6)28-42)58(60(54)57)56-48(76-40-20-12-16-36(4)26-40)30-44(62(67)72)53(43)59(55)56/h11-22,25-32H,9-10,23-24,33-34H2,1-8H3.
What are the key properties of N-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide?
N-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide has a molecular weight of 1041.17 g/mol, XLogP of 13.07, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-2-[11,14,22,26-tetrakis(3-methylphenoxy)-18-[2-[methyl(propyl)amino]-2-oxoethyl]-6,8,17,19-tetraoxo-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]acetamide is sourced from PubChem (CID 167319937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).