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

C17H26N2O2 — CID 77014767

IUPAC2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
SMILESCC1CCC(NC(=O)C(N)Cc2ccc(O)cc2)C(C)C1
InChIInChI=1S/C17H26N2O2/c1-11-3-8-16(12(2)9-11)19-17(21)15(18)10-13-4-6-14(20)7-5-13/h4-7,11-12,15-16,20H,3,8-10,18H2,1-2H3,(H,19,21)
InChIKeyIZHRMPKYJRRYQQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.20
Rot. Bonds4

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

2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 77014767) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID77014767
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
SMILESCC1CCC(NC(=O)C(N)Cc2ccc(O)cc2)C(C)C1
InChIInChI=1S/C17H26N2O2/c1-11-3-8-16(12(2)9-11)19-17(21)15(18)10-13-4-6-14(20)7-5-13/h4-7,11-12,15-16,20H,3,8-10,18H2,1-2H3,(H,19,21)
InChIKeyIZHRMPKYJRRYQQ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 104905091
(2R)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 103796818
(2S)-2-amino-N-(3-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 61156321
2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
CID 76892756
(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
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-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 114350623
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465095
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
CID 63999963
(2S)-2-amino-N-(1,1-dioxothiolan-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 61149291

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide (CID 77014767) is 2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide is CC1CCC(NC(=O)C(N)Cc2ccc(O)cc2)C(C)C1.
What is the InChIKey of 2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is IZHRMPKYJRRYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-3-8-16(12(2)9-11)19-17(21)15(18)10-13-4-6-14(20)7-5-13/h4-7,11-12,15-16,20H,3,8-10,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide?
2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 77014767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).