N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide

C16H25N3O2 — CID 62479972

IUPACN-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESCC(N)c1ccc(NC(=O)N2CCCC2CCCO)cc1
InChIInChI=1S/C16H25N3O2/c1-12(17)13-6-8-14(9-7-13)18-16(21)19-10-2-4-15(19)5-3-11-20/h6-9,12,15,20H,2-5,10-11,17H2,1H3,(H,18,21)
InChIKeyQTSFFQXDEPRVAN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.48
Rot. Bonds5

About N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide

N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide (PubChem CID 62479972) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide
PubChem CID62479972
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESCC(N)c1ccc(NC(=O)N2CCCC2CCCO)cc1
InChIInChI=1S/C16H25N3O2/c1-12(17)13-6-8-14(9-7-13)18-16(21)19-10-2-4-15(19)5-3-11-20/h6-9,12,15,20H,2-5,10-11,17H2,1H3,(H,18,21)
InChIKeyQTSFFQXDEPRVAN-UHFFFAOYSA-N
XLogP2.48
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-(1-aminoethyl)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-(3-hydroxypropyl)pyrrolidine-1-carboxamide
CID 62478156
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409989
3-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 80551170
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CID 62468286
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 62469251
N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 61409053
(2S)-N-(4-tert-butylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104512
2-(aminomethyl)-N-(4-fluorophenyl)azepane-1-carboxamide
CID 116640093
N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 110918942
(2R)-2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 104903407

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide (CID 62479972) is N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide is CC(N)c1ccc(NC(=O)N2CCCC2CCCO)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide?
The InChIKey is QTSFFQXDEPRVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(17)13-6-8-14(9-7-13)18-16(21)19-10-2-4-15(19)5-3-11-20/h6-9,12,15,20H,2-5,10-11,17H2,1H3,(H,18,21).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide?
N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 62479972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).