N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide

C14H21NO2 — CID 60676013

IUPACN-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
SMILESCCCC(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C14H21NO2/c1-4-6-14(16)15(3)9-10-17-13-8-5-7-12(2)11-13/h5,7-8,11H,4,6,9-10H2,1-3H3
InChIKeyDNAPAKCKLKDYMA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds6

About N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide

N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide (PubChem CID 60676013) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
PubChem CID60676013
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
SMILESCCCC(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C14H21NO2/c1-4-6-14(16)15(3)9-10-17-13-8-5-7-12(2)11-13/h5,7-8,11H,4,6,9-10H2,1-3H3
InChIKeyDNAPAKCKLKDYMA-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

3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
CID 82011195
N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 115691597
2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide
CID 31666859
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 31949840
2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55431376

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide?
The IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide (CID 60676013) is N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide?
The canonical SMILES for N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide is CCCC(=O)N(C)CCOc1cccc(C)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide?
The InChIKey is DNAPAKCKLKDYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-6-14(16)15(3)9-10-17-13-8-5-7-12(2)11-13/h5,7-8,11H,4,6,9-10H2,1-3H3.
What are the key properties of N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide?
N-methyl-N-[2-(3-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-(3-methylphenoxy)ethyl]butanamide is sourced from PubChem (CID 60676013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).