N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C31H33N3O3 — CID 42772104

IUPACN-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN(C(=O)COCc1ccccc1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C31H33N3O3/c35-30(21-34(27-15-16-27)31(36)23-37-22-25-11-5-2-6-12-25)33(20-24-9-3-1-4-10-24)18-17-26-19-32-29-14-8-7-13-28(26)29/h1-14,19,27,32H,15-18,20-23H2
InChIKeyFLMZAJAXQWQXRO-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.95
Rot. Bonds12

About N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 42772104) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID42772104
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC NameN-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN(C(=O)COCc1ccccc1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C31H33N3O3/c35-30(21-34(27-15-16-27)31(36)23-37-22-25-11-5-2-6-12-25)33(20-24-9-3-1-4-10-24)18-17-26-19-32-29-14-8-7-13-28(26)29/h1-14,19,27,32H,15-18,20-23H2
InChIKeyFLMZAJAXQWQXRO-UHFFFAOYSA-N
XLogP4.95
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide 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

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 42772542
N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 3264309
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide
CID 3434547
N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4131063
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
CID 42772097
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42772544
2-[butyl-(2-phenylmethoxyacetyl)amino]-N-[(4-ethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4089914
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42770552
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]pentanamide
CID 5046355
N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]hexanamide
CID 5237679
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 4129679
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,6-dimethoxybenzamide
CID 42772550

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 42772104) is N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(CN(C(=O)COCc1ccccc1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is FLMZAJAXQWQXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O3/c35-30(21-34(27-15-16-27)31(36)23-37-22-25-11-5-2-6-12-25)33(20-24-9-3-1-4-10-24)18-17-26-19-32-29-14-8-7-13-28(26)29/h1-14,19,27,32H,15-18,20-23H2.
What are the key properties of N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 495.62 g/mol, XLogP of 4.95, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 42772104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).