4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide

C15H21N3O2 — CID 107529194

IUPAC4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCC2CCC(=O)N2)cc1
InChIInChI=1S/C15H21N3O2/c1-11-2-4-12(5-3-11)15(20)17-9-8-16-10-13-6-7-14(19)18-13/h2-5,13,16H,6-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyVSKYIVMWADUTFY-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.59
Rot. Bonds6

About 4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide

4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide (PubChem CID 107529194) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide
PubChem CID107529194
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCC2CCC(=O)N2)cc1
InChIInChI=1S/C15H21N3O2/c1-11-2-4-12(5-3-11)15(20)17-9-8-16-10-13-6-7-14(19)18-13/h2-5,13,16H,6-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyVSKYIVMWADUTFY-UHFFFAOYSA-N
XLogP0.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.59
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

4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
CID 62657165
4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 110732273
4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 91792844
1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea
CID 107529858
4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide
CID 62656966
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide
CID 95869015
methyl 3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 54880678
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119299588

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide (CID 107529194) is 4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide is Cc1ccc(C(=O)NCCNCC2CCC(=O)N2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide?
The InChIKey is VSKYIVMWADUTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-2-4-12(5-3-11)15(20)17-9-8-16-10-13-6-7-14(19)18-13/h2-5,13,16H,6-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide?
4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide has a molecular weight of 275.35 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide is sourced from PubChem (CID 107529194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).