N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide

C18H28N2O — CID 63753534

IUPACN-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide
SMILESCCC(C(=O)N(CCN)C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-2-17(15-9-5-3-6-10-15)18(21)20(14-13-19)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,2,4,7-8,11-14,19H2,1H3
InChIKeySIOZZIVZOOIMRK-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.30
Rot. Bonds6

About N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide

N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide (PubChem CID 63753534) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide
PubChem CID63753534
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide
SMILESCCC(C(=O)N(CCN)C1CCCCC1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-2-17(15-9-5-3-6-10-15)18(21)20(14-13-19)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,2,4,7-8,11-14,19H2,1H3
InChIKeySIOZZIVZOOIMRK-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 63753347
N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide
CID 54997695
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylpropanamide
CID 62878882
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide
CID 62877146
3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid
CID 63067063
N-cycloheptyl-2-phenylbutanamide
CID 2890971
3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
CID 63074052
N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide
CID 102867408
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide (CID 63753534) is N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide is CCC(C(=O)N(CCN)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide?
The InChIKey is SIOZZIVZOOIMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-17(15-9-5-3-6-10-15)18(21)20(14-13-19)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,2,4,7-8,11-14,19H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide?
N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide has a molecular weight of 288.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide is sourced from PubChem (CID 63753534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).