N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide

C15H23NO2 — CID 86916962

IUPACN,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
SMILESCCC(C)C(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-5-13(3)15(17)16(4)10-11-18-14-8-6-12(2)7-9-14/h6-9,13H,5,10-11H2,1-4H3
InChIKeyXKOHQGVXZPALNA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.88
Rot. Bonds6

About N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide

N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide (PubChem CID 86916962) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
PubChem CID86916962
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
SMILESCCC(C)C(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C15H23NO2/c1-5-13(3)15(17)16(4)10-11-18-14-8-6-12(2)7-9-14/h6-9,13H,5,10-11H2,1-4H3
InChIKeyXKOHQGVXZPALNA-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 86909753
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119695394
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
3-[butan-2-yl-[2-(4-methylphenoxy)ethyl]amino]-2-methylpropanoic acid
CID 82329442
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 115286550
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
CID 119695322
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide?
The IUPAC name of N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide (CID 86916962) is N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide.
What is the SMILES notation for N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide?
The canonical SMILES for N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide is CCC(C)C(=O)N(C)CCOc1ccc(C)cc1.
What is the InChIKey of N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide?
The InChIKey is XKOHQGVXZPALNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-13(3)15(17)16(4)10-11-18-14-8-6-12(2)7-9-14/h6-9,13H,5,10-11H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide?
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide has a molecular weight of 249.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide is sourced from PubChem (CID 86916962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).