4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide

C14H22N2O2 — CID 115155334

IUPAC4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
SMILESCOc1ccc(CN(C)C(=O)CCCN)cc1C
InChIInChI=1S/C14H22N2O2/c1-11-9-12(6-7-13(11)18-3)10-16(2)14(17)5-4-8-15/h6-7,9H,4-5,8,10,15H2,1-3H3
InChIKeyRTSULPRGPQISGK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.70
Rot. Bonds6

About 4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide

4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide (PubChem CID 115155334) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
PubChem CID115155334
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
SMILESCOc1ccc(CN(C)C(=O)CCCN)cc1C
InChIInChI=1S/C14H22N2O2/c1-11-9-12(6-7-13(11)18-3)10-16(2)14(17)5-4-8-15/h6-7,9H,4-5,8,10,15H2,1-3H3
InChIKeyRTSULPRGPQISGK-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 115155352
3-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119301207
3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide
CID 115180628
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
2-(4-methoxy-3-methylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 100684189
6-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60921327
7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60937433
5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 10089639
N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139170
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide (CID 115155334) is 4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide is COc1ccc(CN(C)C(=O)CCCN)cc1C.
What is the InChIKey of 4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide?
The InChIKey is RTSULPRGPQISGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-9-12(6-7-13(11)18-3)10-16(2)14(17)5-4-8-15/h6-7,9H,4-5,8,10,15H2,1-3H3.
What are the key properties of 4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide?
4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.70, 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-methoxy-3-methylphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 115155334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).