(2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide

C34H39N3O5 — CID 98097762

IUPAC(2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1cccc(CN(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2cccc(OC)c2OC)c1
InChIInChI=1S/C34H39N3O5/c1-40-26-14-9-11-23(19-26)22-37(31(38)20-24-21-35-29-17-8-7-15-27(24)29)32(34(39)36-25-12-5-4-6-13-25)28-16-10-18-30(41-2)33(28)42-3/h7-11,14-19,21,25,32,35H,4-6,12-13,20,22H2,1-3H3,(H,36,39)/t32-/m1/s1
InChIKeyAUUJNIDCPHBIMB-JGCGQSQUSA-N
MW569.70 g/mol
LogP5.96
Rot. Bonds11

About (2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide

(2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide (PubChem CID 98097762) has the molecular formula C34H39N3O5 and a molecular weight of 569.70 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide
PubChem CID98097762
Molecular FormulaC34H39N3O5
Molecular Weight569.70 g/mol
Exact Mass569.29
IUPAC Name(2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1cccc(CN(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2cccc(OC)c2OC)c1
InChIInChI=1S/C34H39N3O5/c1-40-26-14-9-11-23(19-26)22-37(31(38)20-24-21-35-29-17-8-7-15-27(24)29)32(34(39)36-25-12-5-4-6-13-25)28-16-10-18-30(41-2)33(28)42-3/h7-11,14-19,21,25,32,35H,4-6,12-13,20,22H2,1-3H3,(H,36,39)/t32-/m1/s1
InChIKeyAUUJNIDCPHBIMB-JGCGQSQUSA-N
XLogP5.96
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.70
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3191185
N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
CID 3190749
(2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide
CID 25309037
(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide
CID 25308956
(2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 25309029
N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide
CID 3190827
(2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 98097835
(2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 98097673
(2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 98097675
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 3190799
(2S)-N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-3,5-dimethoxyanilino)acetamide
CID 98097765
2-[(2-chloroacetyl)-[(3-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 86809836

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide (CID 98097762) is (2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide is COc1cccc(CN(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2cccc(OC)c2OC)c1.
What is the InChIKey of (2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide?
The InChIKey is AUUJNIDCPHBIMB-JGCGQSQUSA-N. The full InChI is InChI=1S/C34H39N3O5/c1-40-26-14-9-11-23(19-26)22-37(31(38)20-24-21-35-29-17-8-7-15-27(24)29)32(34(39)36-25-12-5-4-6-13-25)28-16-10-18-30(41-2)33(28)42-3/h7-11,14-19,21,25,32,35H,4-6,12-13,20,22H2,1-3H3,(H,36,39)/t32-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide?
(2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 569.70 g/mol, XLogP of 5.96, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 98097762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).