N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide

C34H37N3O3 — CID 70082959

IUPACN-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C34H37N3O3/c1-24(2)19-32(36-33(38)28-16-15-26-10-6-7-11-27(26)21-28)34(39)35-29-17-18-37(23-29)22-25-9-8-14-31(20-25)40-30-12-4-3-5-13-30/h3-16,20-21,24,29,32H,17-19,22-23H2,1-2H3,(H,35,39)(H,36,38)/t29-,32-/m0/s1
InChIKeyZNERTTOAHMMISC-NYDCQLBNSA-N
MW535.69 g/mol
LogP6.17
Rot. Bonds10

About N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide

N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide (PubChem CID 70082959) has the molecular formula C34H37N3O3 and a molecular weight of 535.69 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
PubChem CID70082959
Molecular FormulaC34H37N3O3
Molecular Weight535.69 g/mol
Exact Mass535.28
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C34H37N3O3/c1-24(2)19-32(36-33(38)28-16-15-26-10-6-7-11-27(26)21-28)34(39)35-29-17-18-37(23-29)22-25-9-8-14-31(20-25)40-30-12-4-3-5-13-30/h3-16,20-21,24,29,32H,17-19,22-23H2,1-2H3,(H,35,39)(H,36,38)/t29-,32-/m0/s1
InChIKeyZNERTTOAHMMISC-NYDCQLBNSA-N
XLogP6.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide 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-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
CID 70081070
N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]quinoline-2-carboxamide
CID 70082543
N-[(2S)-1-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide
CID 70082091
tert-butyl N-[1-[(1-benzylpyrrolidin-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18717996
N-[1-[[(3S)-1-benzyl-3-hydroxyazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 54098482
N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
CID 22951581
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-[2-(3-pyridin-2-ylphenyl)ethyl]azepan-4-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
CID 10231812
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
3-[(3-acetamidopyrrolidin-1-yl)methyl]benzoic acid
CID 113402458

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide (CID 70082959) is N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide is CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide?
The InChIKey is ZNERTTOAHMMISC-NYDCQLBNSA-N. The full InChI is InChI=1S/C34H37N3O3/c1-24(2)19-32(36-33(38)28-16-15-26-10-6-7-11-27(26)21-28)34(39)35-29-17-18-37(23-29)22-25-9-8-14-31(20-25)40-30-12-4-3-5-13-30/h3-16,20-21,24,29,32H,17-19,22-23H2,1-2H3,(H,35,39)(H,36,38)/t29-,32-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide?
N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide has a molecular weight of 535.69 g/mol, XLogP of 6.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 70082959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).