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

C14H22N2O2 — CID 54869692

IUPAC2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
SMILESCCC(N)C(=O)N(C)CCOc1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-4-12(15)14(17)16(3)9-10-18-13-8-6-5-7-11(13)2/h5-8,12H,4,9-10,15H2,1-3H3
InChIKeyMFWJOGBUMVHSAD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.57
Rot. Bonds6

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

2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide (PubChem CID 54869692) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
PubChem CID54869692
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
SMILESCCC(N)C(=O)N(C)CCOc1ccccc1C
InChIInChI=1S/C14H22N2O2/c1-4-12(15)14(17)16(3)9-10-18-13-8-6-5-7-11(13)2/h5-8,12H,4,9-10,15H2,1-3H3
InChIKeyMFWJOGBUMVHSAD-UHFFFAOYSA-N
XLogP1.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 54869691
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide
CID 119298348
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119298347
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 115286553
3-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695605
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
2-amino-3-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpropanamide
CID 120986832
(2R)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpentanamide
CID 93368335
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide?
The IUPAC name of 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide (CID 54869692) is 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide is CCC(N)C(=O)N(C)CCOc1ccccc1C.
What is the InChIKey of 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide?
The InChIKey is MFWJOGBUMVHSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-12(15)14(17)16(3)9-10-18-13-8-6-5-7-11(13)2/h5-8,12H,4,9-10,15H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide?
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide is sourced from PubChem (CID 54869692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).