N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide

C16H25NO2 — CID 115186751

IUPACN-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide
SMILESCCC(CO)C(=O)N(C)CCc1ccc(C)cc1C
InChIInChI=1S/C16H25NO2/c1-5-14(11-18)16(19)17(4)9-8-15-7-6-12(2)10-13(15)3/h6-7,10,14,18H,5,8-9,11H2,1-4H3
InChIKeyYMPNAGMVMOIWRK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.32
Rot. Bonds6

About N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide

N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide (PubChem CID 115186751) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide
PubChem CID115186751
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide
SMILESCCC(CO)C(=O)N(C)CCc1ccc(C)cc1C
InChIInChI=1S/C16H25NO2/c1-5-14(11-18)16(19)17(4)9-8-15-7-6-12(2)10-13(15)3/h6-7,10,14,18H,5,8-9,11H2,1-4H3
InChIKeyYMPNAGMVMOIWRK-UHFFFAOYSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
N-[2-(2,4-dimethylphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 115176598
2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 115186654
4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide
CID 115156481
3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115161721
N-ethyl-2-(hydroxymethyl)-N-methylbutanamide
CID 115186409
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987
methyl 2-[(2,4-dimethylphenyl)methyl]butanoate
CID 116931270
1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 48718367
2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine
CID 166117253
3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695476
4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid
CID 115123138

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide (CID 115186751) is N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide is CCC(CO)C(=O)N(C)CCc1ccc(C)cc1C.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide?
The InChIKey is YMPNAGMVMOIWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-14(11-18)16(19)17(4)9-8-15-7-6-12(2)10-13(15)3/h6-7,10,14,18H,5,8-9,11H2,1-4H3.
What are the key properties of N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide?
N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide is sourced from PubChem (CID 115186751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).