N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide

C13H19NO2 — CID 20635114

IUPACN-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide
SMILESCc1cccc(C(CO)NC(=O)C(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(2)13(16)14-12(8-15)11-6-4-5-10(3)7-11/h4-7,9,12,15H,8H2,1-3H3,(H,14,16)
InChIKeyCQDAAADRPMQISK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.80
Rot. Bonds4

About N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide

N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide (PubChem CID 20635114) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide
PubChem CID20635114
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide
SMILESCc1cccc(C(CO)NC(=O)C(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(2)13(16)14-12(8-15)11-6-4-5-10(3)7-11/h4-7,9,12,15H,8H2,1-3H3,(H,14,16)
InChIKeyCQDAAADRPMQISK-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 61055543
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
2-(3-methylphenyl)propan-1-ol
CID 21478686
3-acetamido-3-(3-methylphenyl)propanoic acid
CID 63650206
N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110931174
N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
2-methyl-N-[3-(3-methylphenyl)-4-(4-methylphenyl)butan-2-yl]propanamide
CID 142901467
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
4-(methylamino)-4-(3-methylphenyl)butan-2-one
CID 116956083

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide (CID 20635114) is N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide is Cc1cccc(C(CO)NC(=O)C(C)C)c1.
What is the InChIKey of N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide?
The InChIKey is CQDAAADRPMQISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)13(16)14-12(8-15)11-6-4-5-10(3)7-11/h4-7,9,12,15H,8H2,1-3H3,(H,14,16).
What are the key properties of N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide?
N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 20635114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).