3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide

C17H26N2O2 — CID 106135106

IUPAC3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCC1CCCC(O)C1)C(N)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-12(16(18)14-7-3-2-4-8-14)17(21)19-11-13-6-5-9-15(20)10-13/h2-4,7-8,12-13,15-16,20H,5-6,9-11,18H2,1H3,(H,19,21)
InChIKeyPKCJOWZTVIWJOA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.99
Rot. Bonds5

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

3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide (PubChem CID 106135106) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
PubChem CID106135106
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCC1CCCC(O)C1)C(N)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-12(16(18)14-7-3-2-4-8-14)17(21)19-11-13-6-5-9-15(20)10-13/h2-4,7-8,12-13,15-16,20H,5-6,9-11,18H2,1H3,(H,19,21)
InChIKeyPKCJOWZTVIWJOA-UHFFFAOYSA-N
XLogP1.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
(2R)-2-amino-N-[(3-methylcyclohexyl)methyl]-2-phenylacetamide
CID 103795876
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide
CID 119878746
1-[(3-hydroxycyclohexyl)methyl]-3-(2-phenylbutyl)urea
CID 111504109
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 80552772
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 106128023
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide
CID 111459912
3-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119821595
N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 119761567
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide (CID 106135106) is 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide is CC(C(=O)NCC1CCCC(O)C1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide?
The InChIKey is PKCJOWZTVIWJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(16(18)14-7-3-2-4-8-14)17(21)19-11-13-6-5-9-15(20)10-13/h2-4,7-8,12-13,15-16,20H,5-6,9-11,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 106135106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).