N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide

C16H23N3O2 — CID 106974366

IUPACN-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(C(=O)NC)cc2)CCCN1
InChIInChI=1S/C16H23N3O2/c1-3-9-16(10-4-11-18-16)15(21)19-13-7-5-12(6-8-13)14(20)17-2/h5-8,18H,3-4,9-11H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyFQXLLYJRTMGAPK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.91
Rot. Bonds5

About N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide

N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974366) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106974366
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(C(=O)NC)cc2)CCCN1
InChIInChI=1S/C16H23N3O2/c1-3-9-16(10-4-11-18-16)15(21)19-13-7-5-12(6-8-13)14(20)17-2/h5-8,18H,3-4,9-11H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyFQXLLYJRTMGAPK-UHFFFAOYSA-N
XLogP1.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
CID 106974927
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-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 83063422
N-(1H-indazol-6-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974446
N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080696
N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974512
4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid
CID 106974808

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide (CID 106974366) is N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2ccc(C(=O)NC)cc2)CCCN1.
What is the InChIKey of N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is FQXLLYJRTMGAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-9-16(10-4-11-18-16)15(21)19-13-7-5-12(6-8-13)14(20)17-2/h5-8,18H,3-4,9-11H2,1-2H3,(H,17,20)(H,19,21).
What are the key properties of N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide?
N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).