4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide

C16H23N3O2 — CID 63714328

IUPAC4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)C2CNCC2C)cc1
InChIInChI=1S/C16H23N3O2/c1-11-3-5-13(6-4-11)15(20)18-7-8-19-16(21)14-10-17-9-12(14)2/h3-6,12,14,17H,7-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVIEAYWCUIIMNLC-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.70
Rot. Bonds5

About 4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide

4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide (PubChem CID 63714328) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
PubChem CID63714328
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)C2CNCC2C)cc1
InChIInChI=1S/C16H23N3O2/c1-11-3-5-13(6-4-11)15(20)18-7-8-19-16(21)14-10-17-9-12(14)2/h3-6,12,14,17H,7-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVIEAYWCUIIMNLC-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119299588
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299602
4-methyl-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63714278
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
CID 63715754
N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide
CID 64751228
4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
CID 60965036
4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide
CID 42680028
4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63713940
4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63715280

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide (CID 63714328) is 4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)C2CNCC2C)cc1.
What is the InChIKey of 4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is VIEAYWCUIIMNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-3-5-13(6-4-11)15(20)18-7-8-19-16(21)14-10-17-9-12(14)2/h3-6,12,14,17H,7-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide?
4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63714328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).