N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

C17H23N3O3 — CID 87025080

IUPACN-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCc1c(NC(=O)C2CCCN2C(=O)C(C)C)cccc1C(N)=O
InChIInChI=1S/C17H23N3O3/c1-10(2)17(23)20-9-5-8-14(20)16(22)19-13-7-4-6-12(11(13)3)15(18)21/h4,6-7,10,14H,5,8-9H2,1-3H3,(H2,18,21)(H,19,22)
InChIKeyODXLYLFXHLSVIC-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.68
Rot. Bonds4

About N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 87025080) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID87025080
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCc1c(NC(=O)C2CCCN2C(=O)C(C)C)cccc1C(N)=O
InChIInChI=1S/C17H23N3O3/c1-10(2)17(23)20-9-5-8-14(20)16(22)19-13-7-4-6-12(11(13)3)15(18)21/h4,6-7,10,14H,5,8-9H2,1-3H3,(H2,18,21)(H,19,22)
InChIKeyODXLYLFXHLSVIC-UHFFFAOYSA-N
XLogP1.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 43694021
(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95653604
2-methyl-3-(propan-2-ylamino)benzamide
CID 43694179
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
N-(3-carbamoyl-2-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 34571954
(3R)-N-(3-carbamoyl-2-methylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 95875581
1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 46756268
1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide
CID 60527303
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
tert-butyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3136691
N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 86998350

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (CID 87025080) is N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is Cc1c(NC(=O)C2CCCN2C(=O)C(C)C)cccc1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is ODXLYLFXHLSVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10(2)17(23)20-9-5-8-14(20)16(22)19-13-7-4-6-12(11(13)3)15(18)21/h4,6-7,10,14H,5,8-9H2,1-3H3,(H2,18,21)(H,19,22).
What are the key properties of N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-2-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 87025080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).