1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide

C15H23N3O — CID 43281472

IUPAC1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)NCc1ccc(N2CCCC2C(N)=O)cc1
InChIInChI=1S/C15H23N3O/c1-11(2)17-10-12-5-7-13(8-6-12)18-9-3-4-14(18)15(16)19/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H2,16,19)
InChIKeyWFJABJHKQSZPNW-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.64
Rot. Bonds5

About 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide

1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 43281472) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID43281472
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)NCc1ccc(N2CCCC2C(N)=O)cc1
InChIInChI=1S/C15H23N3O/c1-11(2)17-10-12-5-7-13(8-6-12)18-9-3-4-14(18)15(16)19/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H2,16,19)
InChIKeyWFJABJHKQSZPNW-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-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

1-[4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 54984589
1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
CID 43281467
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-[6-(1-hydroxyethyl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 83131679
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]pyrrolidine-2-carboxamide
CID 83131762
1-[3-methyl-4-(methylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 62135010
1-[3-hydroxy-4-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 79603236
(2R)-1-[4-[2-(4-benzylphenyl)ethynyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 118096611
1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide
CID 142766812
1-[4-[[(2-ethynyl-1,3-thiazol-4-yl)carbamoylamino]methyl]phenyl]pyrrolidine-2-carboxamide
CID 167101332
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943393

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide (CID 43281472) is 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide is CC(C)NCc1ccc(N2CCCC2C(N)=O)cc1.
What is the InChIKey of 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is WFJABJHKQSZPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)17-10-12-5-7-13(8-6-12)18-9-3-4-14(18)15(16)19/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H2,16,19).
What are the key properties of 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide?
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43281472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).