4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide

C13H22N2O2 — CID 102861672

IUPAC4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N(CCCO)C2CCC2)C1
InChIInChI=1S/C13H22N2O2/c14-11-6-5-10(9-11)13(17)15(7-2-8-16)12-3-1-4-12/h5-6,10-12,16H,1-4,7-9,14H2
InChIKeyDIZXWIVDMDBDLW-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.65
Rot. Bonds5

About 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide

4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide (PubChem CID 102861672) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide
PubChem CID102861672
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)N(CCCO)C2CCC2)C1
InChIInChI=1S/C13H22N2O2/c14-11-6-5-10(9-11)13(17)15(7-2-8-16)12-3-1-4-12/h5-6,10-12,16H,1-4,7-9,14H2
InChIKeyDIZXWIVDMDBDLW-UHFFFAOYSA-N
XLogP0.65
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
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-(2-amino-2-oxoethyl)-N-cyclopentylcyclopent-2-ene-1-carboxamide
CID 79210326
4-amino-N-cyclohexyl-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211073
4-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
CID 79210135
N-cyclobutyl-N-(3-hydroxypropyl)cyclooctanecarboxamide
CID 102866891
4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79211040
3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 102871203
4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid
CID 79207976
N-cyclobutyl-2-cyclopent-2-en-1-yl-N-(3-hydroxypropyl)acetamide
CID 102866471
N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 102978249
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylcyclopropane-1-carboxamide
CID 102866442
2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 102861598
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide (CID 102861672) is 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)N(CCCO)C2CCC2)C1.
What is the InChIKey of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is DIZXWIVDMDBDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-11-6-5-10(9-11)13(17)15(7-2-8-16)12-3-1-4-12/h5-6,10-12,16H,1-4,7-9,14H2.
What are the key properties of 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-N-(3-hydroxypropyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 102861672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).