N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide

C72H74N8O8 — CID 140575218

IUPACN-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
SMILESCOc1cccc(OC)c1-c1c2nc(c(-c3c(NC(=O)C4CCCC4)cccc3NC(=O)C3CCCC3)c3ccc([nH]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4c(NC(=O)C5CCCC5)cccc4NC(=O)C4CCCC4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C72H74N8O8/c1-85-57-29-15-30-58(86-2)67(57)65-53-37-33-49(73-53)63(61-45(77-69(81)41-17-5-6-18-41)25-13-26-46(61)78-70(82)42-19-7-8-20-42)51-35-39-55(75-51)66(68-59(87-3)31-16-32-60(68)88-4)56-40-36-52(76-56)64(50-34-38-54(65)74-50)62-47(79-71(83)43-21-9-10-22-43)27-14-28-48(62)80-72(84)44-23-11-12-24-44/h13-16,25-44,73,76H,5-12,17-24H2,1-4H3,(H,77,81)(H,78,82)(H,79,83)(H,80,84)/b63-49+,63-51+,64-50+,64-52+,65-53+,65-54+,66-55+,66-56+
InChIKeyBVPXBKKWKCJTIP-FKAVUIINSA-N
MW1179.43 g/mol
LogP15.87
Rot. Bonds16

About N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide

N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide (PubChem CID 140575218) has the molecular formula C72H74N8O8 and a molecular weight of 1179.43 g/mol. Its IUPAC name is N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
PubChem CID140575218
Molecular FormulaC72H74N8O8
Molecular Weight1179.43 g/mol
Exact Mass1178.56
IUPAC NameN-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
SMILESCOc1cccc(OC)c1-c1c2nc(c(-c3c(NC(=O)C4CCCC4)cccc3NC(=O)C3CCCC3)c3ccc([nH]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4c(NC(=O)C5CCCC5)cccc4NC(=O)C4CCCC4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C72H74N8O8/c1-85-57-29-15-30-58(86-2)67(57)65-53-37-33-49(73-53)63(61-45(77-69(81)41-17-5-6-18-41)25-13-26-46(61)78-70(82)42-19-7-8-20-42)51-35-39-55(75-51)66(68-59(87-3)31-16-32-60(68)88-4)56-40-36-52(76-56)64(50-34-38-54(65)74-50)62-47(79-71(83)43-21-9-10-22-43)27-14-28-48(62)80-72(84)44-23-11-12-24-44/h13-16,25-44,73,76H,5-12,17-24H2,1-4H3,(H,77,81)(H,78,82)(H,79,83)(H,80,84)/b63-49+,63-51+,64-50+,64-52+,65-53+,65-54+,66-55+,66-56+
InChIKeyBVPXBKKWKCJTIP-FKAVUIINSA-N
XLogP15.87
TPSA210.68 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001179.43
LogP ≤ 515.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide with MolForge

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Related Compounds

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CID 135409912
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
(2S)-N-[2-[10,15,20-tris[2-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]-21,24-dihydroporphyrin-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 11147509
(2R)-N-[3-methoxy-2-[2-methoxy-6-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 102160795
N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 804772
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
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4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
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N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
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CID 3502281
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998571
2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenyl]propanamide
CID 11228555

Frequently Asked Questions

What is the IUPAC name of N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide (CID 140575218) is N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide is COc1cccc(OC)c1-c1c2nc(c(-c3c(NC(=O)C4CCCC4)cccc3NC(=O)C3CCCC3)c3ccc([nH]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4c(NC(=O)C5CCCC5)cccc4NC(=O)C4CCCC4)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide?
The InChIKey is BVPXBKKWKCJTIP-FKAVUIINSA-N. The full InChI is InChI=1S/C72H74N8O8/c1-85-57-29-15-30-58(86-2)67(57)65-53-37-33-49(73-53)63(61-45(77-69(81)41-17-5-6-18-41)25-13-26-46(61)78-70(82)42-19-7-8-20-42)51-35-39-55(75-51)66(68-59(87-3)31-16-32-60(68)88-4)56-40-36-52(76-56)64(50-34-38-54(65)74-50)62-47(79-71(83)43-21-9-10-22-43)27-14-28-48(62)80-72(84)44-23-11-12-24-44/h13-16,25-44,73,76H,5-12,17-24H2,1-4H3,(H,77,81)(H,78,82)(H,79,83)(H,80,84)/b63-49+,63-51+,64-50+,64-52+,65-53+,65-54+,66-55+,66-56+.
What are the key properties of N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide?
N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide has a molecular weight of 1179.43 g/mol, XLogP of 15.87, 16 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[15-[2,6-bis(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 140575218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).