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

C14H22N2O2 — CID 80542826

IUPAC4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)CCN)cc1
InChIInChI=1S/C14H22N2O2/c1-11(8-9-15)14(17)16(2)10-12-4-6-13(18-3)7-5-12/h4-7,11H,8-10,15H2,1-3H3
InChIKeyXPYRQILOOINHSH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.64
Rot. Bonds6

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

4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide (PubChem CID 80542826) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide
PubChem CID80542826
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)CCN)cc1
InChIInChI=1S/C14H22N2O2/c1-11(8-9-15)14(17)16(2)10-12-4-6-13(18-3)7-5-12/h4-7,11H,8-10,15H2,1-3H3
InChIKeyXPYRQILOOINHSH-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide
CID 104684286
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
5-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012231
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
(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
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309
4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51155127

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide?
The IUPAC name of 4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide (CID 80542826) is 4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide?
The canonical SMILES for 4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide is COc1ccc(CN(C)C(=O)C(C)CCN)cc1.
What is the InChIKey of 4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide?
The InChIKey is XPYRQILOOINHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(8-9-15)14(17)16(2)10-12-4-6-13(18-3)7-5-12/h4-7,11H,8-10,15H2,1-3H3.
What are the key properties of 4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide?
4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 80542826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).