N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C17H25ClN2O2 — CID 119293530

IUPACN-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccccc2)CCOCC1)C1CCCN1
InChIInChI=1S/C17H24N2O2.ClH/c20-16(15-7-4-10-18-15)19-13-17(8-11-21-12-9-17)14-5-2-1-3-6-14;/h1-3,5-6,15,18H,4,7-13H2,(H,19,20);1H
InChIKeyODDUPWGXUDVWDR-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.02
Rot. Bonds4

About N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119293530) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119293530
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccccc2)CCOCC1)C1CCCN1
InChIInChI=1S/C17H24N2O2.ClH/c20-16(15-7-4-10-18-15)19-13-17(8-11-21-12-9-17)14-5-2-1-3-6-14;/h1-3,5-6,15,18H,4,7-13H2,(H,19,20);1H
InChIKeyODDUPWGXUDVWDR-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride 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-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314901
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide
CID 119314892
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 119303685
(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 120623333
N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119333019
N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315824
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119310485
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119885272

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119293530) is N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCC1(c2ccccc2)CCOCC1)C1CCCN1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ODDUPWGXUDVWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c20-16(15-7-4-10-18-15)19-13-17(8-11-21-12-9-17)14-5-2-1-3-6-14;/h1-3,5-6,15,18H,4,7-13H2,(H,19,20);1H.
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119293530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).