4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide

C13H23N3O2 — CID 79210528

IUPAC4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H23N3O2/c1-8(2)6-11(13(18)15-3)16-12(17)9-4-5-10(14)7-9/h4-5,8-11H,6-7,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyXKGGHXMBJCTJQP-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.17
Rot. Bonds5

About 4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide

4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide (PubChem CID 79210528) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide
PubChem CID79210528
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H23N3O2/c1-8(2)6-11(13(18)15-3)16-12(17)9-4-5-10(14)7-9/h4-5,8-11H,6-7,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyXKGGHXMBJCTJQP-UHFFFAOYSA-N
XLogP0.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-3-methoxypropanoic acid
CID 81078810
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid
CID 79207585
3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 63043214
4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide
CID 79207896
2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 64822146
2-hydroxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 110015354
4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
CID 79207526
4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide
CID 79210742
4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide
CID 81390649
4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210630
4-amino-N-[(1R)-1-pyridin-4-ylethyl]cyclopent-2-ene-1-carboxamide
CID 81410168

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide (CID 79210528) is 4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide is CNC(=O)C(CC(C)C)NC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide?
The InChIKey is XKGGHXMBJCTJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)6-11(13(18)15-3)16-12(17)9-4-5-10(14)7-9/h4-5,8-11H,6-7,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).