2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide

C17H26N2O2 — CID 76895085

IUPAC2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(N(C)C(=O)C(N)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-12-3-7-14(8-4-12)19(2)17(21)16(18)11-13-5-9-15(20)10-6-13/h5-6,9-10,12,14,16,20H,3-4,7-8,11,18H2,1-2H3
InChIKeySOTMJWYNXQWREY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.30
Rot. Bonds4

About 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide

2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide (PubChem CID 76895085) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
PubChem CID76895085
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(N(C)C(=O)C(N)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-12-3-7-14(8-4-12)19(2)17(21)16(18)11-13-5-9-15(20)10-6-13/h5-6,9-10,12,14,16,20H,3-4,7-8,11,18H2,1-2H3
InChIKeySOTMJWYNXQWREY-UHFFFAOYSA-N
XLogP2.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61155702
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(thiolan-3-yl)propanamide
CID 76893763
(2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide
CID 61165075
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 77008821
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
(2S)-2-amino-N-methyl-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842325
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
(2R)-2-amino-1-(2,5-dimethylpiperidin-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 104905282

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide (CID 76895085) is 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide is CC1CCC(N(C)C(=O)C(N)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide?
The InChIKey is SOTMJWYNXQWREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-3-7-14(8-4-12)19(2)17(21)16(18)11-13-5-9-15(20)10-6-13/h5-6,9-10,12,14,16,20H,3-4,7-8,11,18H2,1-2H3.
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide?
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 76895085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).