4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide

C15H26N2O2 — CID 83029363

IUPAC4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide
SMILESCCC1(CC)CC(NC(=O)C2C=CC(N)C2)CCO1
InChIInChI=1S/C15H26N2O2/c1-3-15(4-2)10-13(7-8-19-15)17-14(18)11-5-6-12(16)9-11/h5-6,11-13H,3-4,7-10,16H2,1-2H3,(H,17,18)
InChIKeyYKKDPFIZFGNBAO-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.74
Rot. Bonds4

About 4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide

4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 83029363) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide
PubChem CID83029363
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide
SMILESCCC1(CC)CC(NC(=O)C2C=CC(N)C2)CCO1
InChIInChI=1S/C15H26N2O2/c1-3-15(4-2)10-13(7-8-19-15)17-14(18)11-5-6-12(16)9-11/h5-6,11-13H,3-4,7-10,16H2,1-2H3,(H,17,18)
InChIKeyYKKDPFIZFGNBAO-UHFFFAOYSA-N
XLogP1.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.74
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

2-amino-N-(2,2-diethyloxan-4-yl)-5-methylcyclohexane-1-carboxamide
CID 83035895
1-amino-N-(2,2-diethyloxan-4-yl)cyclobutane-1-carboxamide
CID 83028998
(2R)-N-(2,2-diethyloxan-4-yl)pyrrolidine-2-carboxamide
CID 104901402
2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 83028310
N-(2,2-diethyloxan-4-yl)-4-methylpiperidine-2-carboxamide
CID 114424424
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
2-amino-N-(2,2-diethyloxan-4-yl)-3,3-dimethylbutanamide
CID 112555896
N-(2,2-diethyloxan-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779942
N-(2,2-diethyloxan-4-yl)-4-ethylpiperidine-2-carboxamide
CID 114429439
1-(2,2-diethyloxan-4-yl)-3-propylurea
CID 115865557
(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide
CID 83029138
3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide
CID 83028921

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide (CID 83029363) is 4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide is CCC1(CC)CC(NC(=O)C2C=CC(N)C2)CCO1.
What is the InChIKey of 4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is YKKDPFIZFGNBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-15(4-2)10-13(7-8-19-15)17-14(18)11-5-6-12(16)9-11/h5-6,11-13H,3-4,7-10,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-diethyloxan-4-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 83029363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).