4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide

C13H24N2O2 — CID 114137040

IUPAC4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide
SMILESCC(C)OCCCCNC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)17-8-4-3-7-15-13(16)11-5-6-12(14)9-11/h5-6,10-12H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeySSESCHGWGQZTHR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.21
Rot. Bonds7

About 4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide (PubChem CID 114137040) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide
PubChem CID114137040
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide
SMILESCC(C)OCCCCNC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)17-8-4-3-7-15-13(16)11-5-6-12(14)9-11/h5-6,10-12H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeySSESCHGWGQZTHR-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 114137006
3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-methoxypropanoic acid
CID 106109009
4-amino-N-(2-hydroxy-3-methoxypropyl)cyclopent-2-ene-1-carboxamide
CID 79207720
(3S,4S)-4-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-3-carboxamide
CID 114137023
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
2,3-dimethyl-4-oxo-4-(4-propan-2-yloxybutylamino)butanoic acid
CID 106003621
4-amino-N-pentan-2-ylcyclopent-2-ene-1-carboxamide
CID 79211383
4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
CID 79207526
4-amino-N-[3-(triazol-1-yl)propyl]cyclopent-2-ene-1-carboxamide
CID 113412805
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide
CID 79400762
3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide
CID 106011258

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide (CID 114137040) is 4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide is CC(C)OCCCCNC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is SSESCHGWGQZTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)17-8-4-3-7-15-13(16)11-5-6-12(14)9-11/h5-6,10-12H,3-4,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-propan-2-yloxybutyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 114137040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).