(2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide

C64H68N8O12 — CID 90719226

IUPAC(2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide
SMILESCOc1cccc(OC)c1C1=C2C=CC(=N2)C(c2c(NC(=O)[C@H](C)OC)cccc2NC(=O)[C@@H](C)OC)=c2ccc([nH]2)=C(c2c(OC)cccc2OC)c2ccc([nH]2)C(c2c(NC(=O)[C@H](C)OC)cccc2NC(=O)[C@@H](C)OC)c2ccc1[nH]2
InChIInChI=1S/C64H68N8O12/c1-33(77-5)61(73)69-37-17-13-18-38(70-62(74)34(2)78-6)53(37)55-41-25-29-45(65-41)57(59-49(81-9)21-15-22-50(59)82-10)47-31-27-43(67-47)56(54-39(71-63(75)35(3)79-7)19-14-20-40(54)72-64(76)36(4)80-8)44-28-32-48(68-44)58(46-30-26-42(55)66-46)60-51(83-11)23-16-24-52(60)84-12/h13-36,55,65-67H,1-12H3,(H,69,73)(H,70,74)(H,71,75)(H,72,76)/t33-,34+,35-,36+,55?
InChIKeyJFCTTWQJAFRNHI-IQCXVMOUSA-N
MW1141.29 g/mol
LogP8.01
Rot. Bonds20

About (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide

(2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide (PubChem CID 90719226) has the molecular formula C64H68N8O12 and a molecular weight of 1141.29 g/mol. Its IUPAC name is (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide
PubChem CID90719226
Molecular FormulaC64H68N8O12
Molecular Weight1141.29 g/mol
Exact Mass1140.50
IUPAC Name(2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide
SMILESCOc1cccc(OC)c1C1=C2C=CC(=N2)C(c2c(NC(=O)[C@H](C)OC)cccc2NC(=O)[C@@H](C)OC)=c2ccc([nH]2)=C(c2c(OC)cccc2OC)c2ccc([nH]2)C(c2c(NC(=O)[C@H](C)OC)cccc2NC(=O)[C@@H](C)OC)c2ccc1[nH]2
InChIInChI=1S/C64H68N8O12/c1-33(77-5)61(73)69-37-17-13-18-38(70-62(74)34(2)78-6)53(37)55-41-25-29-45(65-41)57(59-49(81-9)21-15-22-50(59)82-10)47-31-27-43(67-47)56(54-39(71-63(75)35(3)79-7)19-14-20-40(54)72-64(76)36(4)80-8)44-28-32-48(68-44)58(46-30-26-42(55)66-46)60-51(83-11)23-16-24-52(60)84-12/h13-36,55,65-67H,1-12H3,(H,69,73)(H,70,74)(H,71,75)(H,72,76)/t33-,34+,35-,36+,55?
InChIKeyJFCTTWQJAFRNHI-IQCXVMOUSA-N
XLogP8.01
TPSA249.97 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001141.29
LogP ≤ 58.01
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide with MolForge

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Related Compounds

2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
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(1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
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1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
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[6-methyl-18,23-bis(4-methylphenyl)-9-phenyl-12,27,28,29-tetrazaheptacyclo[22.2.1.110,13.114,17.119,22.02,11.03,8]triaconta-1,3(8),4,6,9,11,13(30),14,16,18,20,22(28),23,25-tetradecaen-30-yl] benzoate
CID 135489444
2-methoxy-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 75835937
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
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2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-methylbenzoate
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(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-methylphenoxy)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide?
The IUPAC name of (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide (CID 90719226) is (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide.
What is the SMILES notation for (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide?
The canonical SMILES for (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide is COc1cccc(OC)c1C1=C2C=CC(=N2)C(c2c(NC(=O)[C@H](C)OC)cccc2NC(=O)[C@@H](C)OC)=c2ccc([nH]2)=C(c2c(OC)cccc2OC)c2ccc([nH]2)C(c2c(NC(=O)[C@H](C)OC)cccc2NC(=O)[C@@H](C)OC)c2ccc1[nH]2.
What is the InChIKey of (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide?
The InChIKey is JFCTTWQJAFRNHI-IQCXVMOUSA-N. The full InChI is InChI=1S/C64H68N8O12/c1-33(77-5)61(73)69-37-17-13-18-38(70-62(74)34(2)78-6)53(37)55-41-25-29-45(65-41)57(59-49(81-9)21-15-22-50(59)82-10)47-31-27-43(67-47)56(54-39(71-63(75)35(3)79-7)19-14-20-40(54)72-64(76)36(4)80-8)44-28-32-48(68-44)58(46-30-26-42(55)66-46)60-51(83-11)23-16-24-52(60)84-12/h13-36,55,65-67H,1-12H3,(H,69,73)(H,70,74)(H,71,75)(H,72,76)/t33-,34+,35-,36+,55?.
What are the key properties of (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide?
(2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide has a molecular weight of 1141.29 g/mol, XLogP of 8.01, 20 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[[(2R)-2-methoxypropanoyl]amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5,21,22,23-tetrahydroporphyrin-5-yl]-3-[[(2R)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide is sourced from PubChem (CID 90719226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).