N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide

C13H20N2O2 — CID 64540830

IUPACN-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(N)C(C)O)c1
InChIInChI=1S/C13H20N2O2/c1-9-4-3-5-11(6-9)7-13(17)15-8-12(14)10(2)16/h3-6,10,12,16H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyWQNMJJIOVCMNCR-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.36
Rot. Bonds5

About N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide

N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide (PubChem CID 64540830) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide
PubChem CID64540830
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(N)C(C)O)c1
InChIInChI=1S/C13H20N2O2/c1-9-4-3-5-11(6-9)7-13(17)15-8-12(14)10(2)16/h3-6,10,12,16H,7-8,14H2,1-2H3,(H,15,17)
InChIKeyWQNMJJIOVCMNCR-UHFFFAOYSA-N
XLogP0.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromopropyl)-2-(3-methylphenyl)acetamide
CID 114308603
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
CID 103879292
N-[(2R)-2-methyl-3-(methylamino)propyl]-2-(3-methylphenyl)acetamide
CID 99646919
N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide
CID 70196813
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 97416790
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(3-methylphenyl)acetamide
CID 90581416
N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide
CID 66969308
4,4-dimethyl-2-[[[2-(3-methylphenyl)acetyl]amino]methyl]pentanoic acid
CID 107473898
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3-methylphenyl)acetamide
CID 41453338
N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250
(2S)-2-hydroxy-4-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 107834540
3-methoxy-1-(3-methylphenyl)butan-2-one
CID 79616168

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide (CID 64540830) is N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCC(N)C(C)O)c1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide?
The InChIKey is WQNMJJIOVCMNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-4-3-5-11(6-9)7-13(17)15-8-12(14)10(2)16/h3-6,10,12,16H,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide?
N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 64540830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).