N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide

C15H23N3O2 — CID 62478156

IUPACN-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESNCc1cccc(NC(=O)N2CCCC2CCCO)c1
InChIInChI=1S/C15H23N3O2/c16-11-12-4-1-5-13(10-12)17-15(20)18-8-2-6-14(18)7-3-9-19/h1,4-5,10,14,19H,2-3,6-9,11,16H2,(H,17,20)
InChIKeyRHZGMPGCMZXCGZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.91
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide

N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide (PubChem CID 62478156) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide
PubChem CID62478156
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESNCc1cccc(NC(=O)N2CCCC2CCCO)c1
InChIInChI=1S/C15H23N3O2/c16-11-12-4-1-5-13(10-12)17-15(20)18-8-2-6-14(18)7-3-9-19/h1,4-5,10,14,19H,2-3,6-9,11,16H2,(H,17,20)
InChIKeyRHZGMPGCMZXCGZ-UHFFFAOYSA-N
XLogP1.91
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-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-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide
CID 83055508
2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CID 62468286
N-[3-(aminomethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43628447
N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide
CID 62479972
N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407186
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol
CID 62480272
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
CID 62469494
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide (CID 62478156) is N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide is NCc1cccc(NC(=O)N2CCCC2CCCO)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide?
The InChIKey is RHZGMPGCMZXCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-11-12-4-1-5-13(10-12)17-15(20)18-8-2-6-14(18)7-3-9-19/h1,4-5,10,14,19H,2-3,6-9,11,16H2,(H,17,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide?
N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 62478156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).