(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide

C16H26N2O2 — CID 104905427

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
SMILESCC(C)CCCCNC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)5-3-4-10-18-16(20)15(17)11-13-6-8-14(19)9-7-13/h6-9,12,15,19H,3-5,10-11,17H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyIOPYSSIFCVNGSN-OAHLLOKOSA-N
MW278.40 g/mol
LogP2.20
Rot. Bonds8

About (2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide

(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide (PubChem CID 104905427) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
PubChem CID104905427
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
SMILESCC(C)CCCCNC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)5-3-4-10-18-16(20)15(17)11-13-6-8-14(19)9-7-13/h6-9,12,15,19H,3-5,10-11,17H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyIOPYSSIFCVNGSN-OAHLLOKOSA-N
XLogP2.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106161295
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
CID 114350635
2-amino-3-(4-hydroxyphenyl)-N-(3-methylsulfanylbutyl)propanamide
CID 114350771
methyl 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanoate
CID 104904977
(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904634
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 114350754
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
CID 104905233

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide (CID 104905427) is (2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide is CC(C)CCCCNC(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide?
The InChIKey is IOPYSSIFCVNGSN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)5-3-4-10-18-16(20)15(17)11-13-6-8-14(19)9-7-13/h6-9,12,15,19H,3-5,10-11,17H2,1-2H3,(H,18,20)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide?
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide is sourced from PubChem (CID 104905427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).