N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide

C15H21N3O2 — CID 106974031

IUPACN-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(C(N)=O)cc2)CCCN1
InChIInChI=1S/C15H21N3O2/c1-2-8-15(9-3-10-17-15)14(20)18-12-6-4-11(5-7-12)13(16)19/h4-7,17H,2-3,8-10H2,1H3,(H2,16,19)(H,18,20)
InChIKeyCEHCJVGMIWHFOE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.65
Rot. Bonds5

About N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide

N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974031) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106974031
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(C(N)=O)cc2)CCCN1
InChIInChI=1S/C15H21N3O2/c1-2-8-15(9-3-10-17-15)14(20)18-12-6-4-11(5-7-12)13(16)19/h4-7,17H,2-3,8-10H2,1H3,(H2,16,19)(H,18,20)
InChIKeyCEHCJVGMIWHFOE-UHFFFAOYSA-N
XLogP1.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
CID 106974927
N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974366
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974156
N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973980
2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 107795125
N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974512
N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974400
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
N-(1H-indazol-6-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974446
N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080696
4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid
CID 106974808

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide (CID 106974031) is N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2ccc(C(N)=O)cc2)CCCN1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is CEHCJVGMIWHFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-8-15(9-3-10-17-15)14(20)18-12-6-4-11(5-7-12)13(16)19/h4-7,17H,2-3,8-10H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide?
N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).