N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide

C14H21NO2 — CID 60675961

IUPACN-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
SMILESCCCC(=O)N(C)CCOc1ccccc1C
InChIInChI=1S/C14H21NO2/c1-4-7-14(16)15(3)10-11-17-13-9-6-5-8-12(13)2/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyQGSFTCWZGMCSOK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds6

About N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide

N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide (PubChem CID 60675961) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
PubChem CID60675961
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
SMILESCCCC(=O)N(C)CCOc1ccccc1C
InChIInChI=1S/C14H21NO2/c1-4-7-14(16)15(3)10-11-17-13-9-6-5-8-12(13)2/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyQGSFTCWZGMCSOK-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979557
2-anilino-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 119695619
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
2-[benzenesulfonyl(methyl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 55623064
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
CID 62964902
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 54869691
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501
N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
CID 119661185

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide?
The IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide (CID 60675961) is N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide?
The canonical SMILES for N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide is CCCC(=O)N(C)CCOc1ccccc1C.
What is the InChIKey of N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide?
The InChIKey is QGSFTCWZGMCSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-7-14(16)15(3)10-11-17-13-9-6-5-8-12(13)2/h5-6,8-9H,4,7,10-11H2,1-3H3.
What are the key properties of N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide?
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide has a molecular weight of 235.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide is sourced from PubChem (CID 60675961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).