2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide

C14H21NO2 — CID 115186654

IUPAC2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide
SMILESCCC(CO)C(=O)N(C)Cc1cccc(C)c1
InChIInChI=1S/C14H21NO2/c1-4-13(10-16)14(17)15(3)9-12-7-5-6-11(2)8-12/h5-8,13,16H,4,9-10H2,1-3H3
InChIKeyABJJKOLEBSNMGX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.97
Rot. Bonds5

About 2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide

2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide (PubChem CID 115186654) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide
PubChem CID115186654
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide
SMILESCCC(CO)C(=O)N(C)Cc1cccc(C)c1
InChIInChI=1S/C14H21NO2/c1-4-13(10-16)14(17)15(3)9-12-7-5-6-11(2)8-12/h5-8,13,16H,4,9-10H2,1-3H3
InChIKeyABJJKOLEBSNMGX-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 62855223
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 115180689
3-methyl-2-[methyl-[(3-methylphenyl)methyl]carbamoyl]butanoic acid
CID 115186248
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 79202080
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride
CID 119717227
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113054219
N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide
CID 115186751
2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 54870401
(2S)-2-amino-N-methyl-N-[(3-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 61165636
N-ethyl-2-(hydroxymethyl)-N-methylbutanamide
CID 115186409

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide?
The IUPAC name of 2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide (CID 115186654) is 2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide is CCC(CO)C(=O)N(C)Cc1cccc(C)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide?
The InChIKey is ABJJKOLEBSNMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-13(10-16)14(17)15(3)9-12-7-5-6-11(2)8-12/h5-8,13,16H,4,9-10H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide?
2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide is sourced from PubChem (CID 115186654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).