4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide

C16H22N2O2 — CID 79207589

IUPAC4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(OCC(C)NC(=O)C2C=CC(N)C2)cc1
InChIInChI=1S/C16H22N2O2/c1-11-3-7-15(8-4-11)20-10-12(2)18-16(19)13-5-6-14(17)9-13/h3-8,12-14H,9-10,17H2,1-2H3,(H,18,19)
InChIKeyKQJZXGYCEDOMJK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.78
Rot. Bonds5

About 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide

4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide (PubChem CID 79207589) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide
PubChem CID79207589
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(OCC(C)NC(=O)C2C=CC(N)C2)cc1
InChIInChI=1S/C16H22N2O2/c1-11-3-7-15(8-4-11)20-10-12(2)18-16(19)13-5-6-14(17)9-13/h3-8,12-14H,9-10,17H2,1-2H3,(H,18,19)
InChIKeyKQJZXGYCEDOMJK-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 64822656
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 132649936
4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
CID 79207526
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 95157805
(2R)-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-2-carboxamide
CID 103809635
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 79793690
(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99970521
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-pentan-3-ylacetamide
CID 61486833
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide (CID 79207589) is 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide is Cc1ccc(OCC(C)NC(=O)C2C=CC(N)C2)cc1.
What is the InChIKey of 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide?
The InChIKey is KQJZXGYCEDOMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-3-7-15(8-4-11)20-10-12(2)18-16(19)13-5-6-14(17)9-13/h3-8,12-14H,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).