(3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide

C36H38N2O3 — CID 98250713

IUPAC(3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide
SMILESCOc1ccc(Cn2cc([C@@H](CC(=O)NCC(C)C)c3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1
InChIInChI=1S/C36H38N2O3/c1-26(2)22-37-36(39)21-33(29-15-19-31(20-16-29)41-25-28-9-5-4-6-10-28)34-24-38(35-12-8-7-11-32(34)35)23-27-13-17-30(40-3)18-14-27/h4-20,24,26,33H,21-23,25H2,1-3H3,(H,37,39)/t33-/m0/s1
InChIKeySIIOBHGEXSVMCK-XIFFEERXSA-N
MW546.71 g/mol
LogP7.57
Rot. Bonds12

About (3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide

(3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide (PubChem CID 98250713) has the molecular formula C36H38N2O3 and a molecular weight of 546.71 g/mol. Its IUPAC name is (3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide
PubChem CID98250713
Molecular FormulaC36H38N2O3
Molecular Weight546.71 g/mol
Exact Mass546.29
IUPAC Name(3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide
SMILESCOc1ccc(Cn2cc([C@@H](CC(=O)NCC(C)C)c3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1
InChIInChI=1S/C36H38N2O3/c1-26(2)22-37-36(39)21-33(29-15-19-31(20-16-29)41-25-28-9-5-4-6-10-28)34-24-38(35-12-8-7-11-32(34)35)23-27-13-17-30(40-3)18-14-27/h4-20,24,26,33H,21-23,25H2,1-3H3,(H,37,39)/t33-/m0/s1
InChIKeySIIOBHGEXSVMCK-XIFFEERXSA-N
XLogP7.57
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-(1-benzylindol-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 98250727
3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90488642
(3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 98443934
N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 83274548
(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide
CID 98443576
(3R)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-(4-phenylmethoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 98443759
N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 83274952
3-(4-tert-butylphenyl)-N-(2-methoxyethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 90488594
(3S)-3-(1-benzylindol-3-yl)-3-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98524903
3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 83275450
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(4-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 98443619
3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83288318

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of (3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide (CID 98250713) is (3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for (3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for (3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide is COc1ccc(Cn2cc([C@@H](CC(=O)NCC(C)C)c3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1.
What is the InChIKey of (3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is SIIOBHGEXSVMCK-XIFFEERXSA-N. The full InChI is InChI=1S/C36H38N2O3/c1-26(2)22-37-36(39)21-33(29-15-19-31(20-16-29)41-25-28-9-5-4-6-10-28)34-24-38(35-12-8-7-11-32(34)35)23-27-13-17-30(40-3)18-14-27/h4-20,24,26,33H,21-23,25H2,1-3H3,(H,37,39)/t33-/m0/s1.
What are the key properties of (3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide?
(3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 546.71 g/mol, XLogP of 7.57, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 98250713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).