2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide

C17H26N2O2 — CID 114350623

IUPAC2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
SMILESCC1(C)CCCC(NC(=O)C(N)Cc2ccc(O)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-17(2)9-3-4-13(11-17)19-16(21)15(18)10-12-5-7-14(20)8-6-12/h5-8,13,15,20H,3-4,9-11,18H2,1-2H3,(H,19,21)
InChIKeyVCVPIYYGSBXJIY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide

2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 114350623) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID114350623
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
SMILESCC1(C)CCCC(NC(=O)C(N)Cc2ccc(O)cc2)C1
InChIInChI=1S/C17H26N2O2/c1-17(2)9-3-4-13(11-17)19-16(21)15(18)10-12-5-7-14(20)8-6-12/h5-8,13,15,20H,3-4,9-11,18H2,1-2H3,(H,19,21)
InChIKeyVCVPIYYGSBXJIY-UHFFFAOYSA-N
XLogP2.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
CID 76892756
(2S)-2-amino-N-(3-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 61156321
(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 104905091
2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 76893768
2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide
CID 114350784
2-amino-3-(4-hydroxyphenyl)-N-(1-methylcyclobutyl)propanamide
CID 114350759
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465095
(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
CID 104871348
2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 77014767
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 61149291
(2S)-2-amino-N-[(1R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-3-(4-hydroxyphenyl)propanamide
CID 167991166

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide (CID 114350623) is 2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide is CC1(C)CCCC(NC(=O)C(N)Cc2ccc(O)cc2)C1.
What is the InChIKey of 2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is VCVPIYYGSBXJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2)9-3-4-13(11-17)19-16(21)15(18)10-12-5-7-14(20)8-6-12/h5-8,13,15,20H,3-4,9-11,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide?
2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 114350623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).