3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide

C18H28N2O — CID 62876968

IUPAC3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide
SMILESCCC1CCC(CNC(=O)C(CN)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-2-14-8-10-15(11-9-14)13-20-18(21)17(12-19)16-6-4-3-5-7-16/h3-7,14-15,17H,2,8-13,19H2,1H3,(H,20,21)
InChIKeyXJGSNTRNECDWGK-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.06
Rot. Bonds6

About 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide

3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide (PubChem CID 62876968) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide
PubChem CID62876968
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide
SMILESCCC1CCC(CNC(=O)C(CN)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-2-14-8-10-15(11-9-14)13-20-18(21)17(12-19)16-6-4-3-5-7-16/h3-7,14-15,17H,2,8-13,19H2,1H3,(H,20,21)
InChIKeyXJGSNTRNECDWGK-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-phenyl-N-(thian-4-ylmethyl)propanamide;hydrochloride
CID 119756545
3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide
CID 62877335
cyclopropylmethyl 3-amino-2-phenylpropanoate
CID 62878848
N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 115738013
3-amino-N-(2-cyclopropylpropyl)-2-phenylpropanamide
CID 115738526
3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride
CID 119737692
3-amino-N-(2-ethylcyclopropyl)-2-phenylpropanamide
CID 103811259
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224288
N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106123788
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-phenylpropanamide
CID 65106734
3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide
CID 103812586

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide (CID 62876968) is 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide is CCC1CCC(CNC(=O)C(CN)c2ccccc2)CC1.
What is the InChIKey of 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide?
The InChIKey is XJGSNTRNECDWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-14-8-10-15(11-9-14)13-20-18(21)17(12-19)16-6-4-3-5-7-16/h3-7,14-15,17H,2,8-13,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide?
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide has a molecular weight of 288.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 62876968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).