2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide

C14H22N2O2 — CID 54868494

IUPAC2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
SMILESCOc1ccc(CN(C)C(=O)C(N)C(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(15)14(17)16(3)9-11-5-7-12(18-4)8-6-11/h5-8,10,13H,9,15H2,1-4H3
InChIKeyIIVWSYILHPZTKO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.64
Rot. Bonds5

About 2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide

2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 54868494) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
PubChem CID54868494
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
SMILESCOc1ccc(CN(C)C(=O)C(N)C(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(15)14(17)16(3)9-11-5-7-12(18-4)8-6-11/h5-8,10,13H,9,15H2,1-4H3
InChIKeyIIVWSYILHPZTKO-UHFFFAOYSA-N
XLogP1.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131
4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 80542826
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012977
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
2-amino-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120666613
4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51155127
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269943

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide (CID 54868494) is 2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide is COc1ccc(CN(C)C(=O)C(N)C(C)C)cc1.
What is the InChIKey of 2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is IIVWSYILHPZTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(15)14(17)16(3)9-11-5-7-12(18-4)8-6-11/h5-8,10,13H,9,15H2,1-4H3.
What are the key properties of 2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide?
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 54868494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).