3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide

C18H28N2O — CID 81389040

IUPAC3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)N[C@H](C)C1CCCCC1)C(N)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-13(17(19)16-11-7-4-8-12-16)18(21)20-14(2)15-9-5-3-6-10-15/h4,7-8,11-15,17H,3,5-6,9-10,19H2,1-2H3,(H,20,21)/t13?,14-,17?/m1/s1
InChIKeyKYAQJXUQHMALCI-XOYHFGRZSA-N
MW288.44 g/mol
LogP3.41
Rot. Bonds5

About 3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide

3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide (PubChem CID 81389040) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide
PubChem CID81389040
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)N[C@H](C)C1CCCCC1)C(N)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-13(17(19)16-11-7-4-8-12-16)18(21)20-14(2)15-9-5-3-6-10-15/h4,7-8,11-15,17H,3,5-6,9-10,19H2,1-2H3,(H,20,21)/t13?,14-,17?/m1/s1
InChIKeyKYAQJXUQHMALCI-XOYHFGRZSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
CID 80552136
(2R)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 81393222
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 104898224
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-2-phenylacetamide
CID 81385705
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
3-amino-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119784591
N-[(1R)-1-cyclopropylethyl]-2,2-diphenylacetamide
CID 8855432
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide (CID 81389040) is 3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide is CC(C(=O)N[C@H](C)C1CCCCC1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide?
The InChIKey is KYAQJXUQHMALCI-XOYHFGRZSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(17(19)16-11-7-4-8-12-16)18(21)20-14(2)15-9-5-3-6-10-15/h4,7-8,11-15,17H,3,5-6,9-10,19H2,1-2H3,(H,20,21)/t13?,14-,17?/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 81389040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).