N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide

C16H23N3O2 — CID 63141619

IUPACN-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cccc(C(N)=O)c2)CCNC1
InChIInChI=1S/C16H23N3O2/c1-2-6-16(7-8-18-11-16)15(21)19-10-12-4-3-5-13(9-12)14(17)20/h3-5,9,18H,2,6-8,10-11H2,1H3,(H2,17,20)(H,19,21)
InChIKeyHDUDBVCDSXMWQP-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.18
Rot. Bonds6

About N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide

N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 63141619) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID63141619
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cccc(C(N)=O)c2)CCNC1
InChIInChI=1S/C16H23N3O2/c1-2-6-16(7-8-18-11-16)15(21)19-10-12-4-3-5-13(9-12)14(17)20/h3-5,9,18H,2,6-8,10-11H2,1H3,(H2,17,20)(H,19,21)
InChIKeyHDUDBVCDSXMWQP-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide
CID 63135121
N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
CID 63144041
N-[(3-cyanophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63140125
N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119719922
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63128555
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127551
N-[(3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127726
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide (CID 63141619) is N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCc2cccc(C(N)=O)c2)CCNC1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is HDUDBVCDSXMWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-6-16(7-8-18-11-16)15(21)19-10-12-4-3-5-13(9-12)14(17)20/h3-5,9,18H,2,6-8,10-11H2,1H3,(H2,17,20)(H,19,21).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide?
N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).