(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide

C15H22N2O3 — CID 104905091

IUPAC(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)NC1CCCCC1O
InChIInChI=1S/C15H22N2O3/c16-12(9-10-5-7-11(18)8-6-10)15(20)17-13-3-1-2-4-14(13)19/h5-8,12-14,18-19H,1-4,9,16H2,(H,17,20)/t12-,13?,14?/m1/s1
InChIKeyBUWBWIXWVQFANV-IYXRBSQSSA-N
MW278.35 g/mol
LogP0.68
Rot. Bonds4

About (2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104905091) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104905091
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)NC1CCCCC1O
InChIInChI=1S/C15H22N2O3/c16-12(9-10-5-7-11(18)8-6-10)15(20)17-13-3-1-2-4-14(13)19/h5-8,12-14,18-19H,1-4,9,16H2,(H,17,20)/t12-,13?,14?/m1/s1
InChIKeyBUWBWIXWVQFANV-IYXRBSQSSA-N
XLogP0.68
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661
2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
CID 76892756
(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
(2S)-2-amino-N-(3-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 61156321
N-(2-hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetamide
CID 62361084
2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 77014767
2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide
CID 114350784
2-amino-N-(3,3-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 114350623
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
CID 104871348
(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide
CID 104984765
2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 76893768

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide (CID 104905091) is (2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide is N[C@H](Cc1ccc(O)cc1)C(=O)NC1CCCCC1O.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is BUWBWIXWVQFANV-IYXRBSQSSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-12(9-10-5-7-11(18)8-6-10)15(20)17-13-3-1-2-4-14(13)19/h5-8,12-14,18-19H,1-4,9,16H2,(H,17,20)/t12-,13?,14?/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 278.35 g/mol, XLogP of 0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104905091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).