4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide

C15H19N3O2 — CID 79210320

IUPAC4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C15H19N3O2/c1-18(15(20)12-6-7-13(16)8-12)9-10-2-4-11(5-3-10)14(17)19/h2-7,12-13H,8-9,16H2,1H3,(H2,17,19)
InChIKeyBWMKBSRGQHIJED-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.65
Rot. Bonds4

About 4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide

4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide (PubChem CID 79210320) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide
PubChem CID79210320
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C15H19N3O2/c1-18(15(20)12-6-7-13(16)8-12)9-10-2-4-11(5-3-10)14(17)19/h2-7,12-13H,8-9,16H2,1H3,(H2,17,19)
InChIKeyBWMKBSRGQHIJED-UHFFFAOYSA-N
XLogP0.65
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79210443
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
4-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210965
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79208489
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210408
(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128806
4-[[(2-chloroacetyl)-methylamino]methyl]benzamide
CID 60812217
4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide
CID 112658919
4-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylcyclopent-2-ene-1-carboxamide
CID 79211120
4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide
CID 54870661
4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 62733184

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide?
The IUPAC name of 4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide (CID 79210320) is 4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide is CN(Cc1ccc(C(N)=O)cc1)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide?
The InChIKey is BWMKBSRGQHIJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(15(20)12-6-7-13(16)8-12)9-10-2-4-11(5-3-10)14(17)19/h2-7,12-13H,8-9,16H2,1H3,(H2,17,19).
What are the key properties of 4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide?
4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide is sourced from PubChem (CID 79210320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).