3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide

C18H28N2O — CID 104502552

IUPAC3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide
SMILESCC(CC(=O)NC(C)C1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C18H28N2O/c1-13(15-8-10-17(19)11-9-15)12-18(21)20-14(2)16-6-4-3-5-7-16/h8-11,13-14,16H,3-7,12,19H2,1-2H3,(H,20,21)
InChIKeySVCNVUYEDGUDMI-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.85
Rot. Bonds5

About 3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide

3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide (PubChem CID 104502552) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide
PubChem CID104502552
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide
SMILESCC(CC(=O)NC(C)C1CCCCC1)c1ccc(N)cc1
InChIInChI=1S/C18H28N2O/c1-13(15-8-10-17(19)11-9-15)12-18(21)20-14(2)16-6-4-3-5-7-16/h8-11,13-14,16H,3-7,12,19H2,1-2H3,(H,20,21)
InChIKeySVCNVUYEDGUDMI-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-N-[(1R)-1-cyclohexylethyl]butanamide
CID 104502868
3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
CID 115341674
3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221628
3-(4-aminophenyl)-1-cyclopentylbutan-1-one
CID 116612653
3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide
CID 104502509
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
2-[3-(4-aminophenyl)butanoylamino]butanedioic acid
CID 104502890
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
3-(4-aminophenyl)-N-(1-methylsulfonylpropan-2-yl)butanamide
CID 104502707
2-[3-(4-aminophenyl)butanoylamino]-3-hydroxybutanoic acid
CID 104502367
(E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide
CID 115344773

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide (CID 104502552) is 3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide is CC(CC(=O)NC(C)C1CCCCC1)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide?
The InChIKey is SVCNVUYEDGUDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(15-8-10-17(19)11-9-15)12-18(21)20-14(2)16-6-4-3-5-7-16/h8-11,13-14,16H,3-7,12,19H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide?
3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide has a molecular weight of 288.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide is sourced from PubChem (CID 104502552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).