4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide

C15H28N2O — CID 79394923

IUPAC4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
SMILESCC(NCCCC(=O)NC1CC1)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-12(13-6-3-2-4-7-13)16-11-5-8-15(18)17-14-9-10-14/h12-14,16H,2-11H2,1H3,(H,17,18)
InChIKeyWRUVJOJHONNNIE-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.60
Rot. Bonds7

About 4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide

4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide (PubChem CID 79394923) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
PubChem CID79394923
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
SMILESCC(NCCCC(=O)NC1CC1)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-12(13-6-3-2-4-7-13)16-11-5-8-15(18)17-14-9-10-14/h12-14,16H,2-11H2,1H3,(H,17,18)
InChIKeyWRUVJOJHONNNIE-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588
methyl 4-(1-cyclopentylethylamino)butanoate
CID 62632824
N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
CID 79394021
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095
N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
CID 79393960
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
CID 81392455
3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide
CID 81392911
N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
CID 107706794
N-(1-cyclopropylethyl)-4-(propan-2-ylamino)butanamide
CID 60849186
N-cyclopropyl-4-(nonan-2-ylamino)butanamide
CID 79394259

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide?
The IUPAC name of 4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide (CID 79394923) is 4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide.
What is the SMILES notation for 4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide?
The canonical SMILES for 4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide is CC(NCCCC(=O)NC1CC1)C1CCCCC1.
What is the InChIKey of 4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide?
The InChIKey is WRUVJOJHONNNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(13-6-3-2-4-7-13)16-11-5-8-15(18)17-14-9-10-14/h12-14,16H,2-11H2,1H3,(H,17,18).
What are the key properties of 4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide?
4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide has a molecular weight of 252.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide is sourced from PubChem (CID 79394923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).