4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide

C14H22N2O3 — CID 80542148

IUPAC4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide
SMILESCOc1ccc(CNC(=O)C(C)CCN)cc1OC
InChIInChI=1S/C14H22N2O3/c1-10(6-7-15)14(17)16-9-11-4-5-12(18-2)13(8-11)19-3/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyKWJBFTVOWRIMRG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.30
Rot. Bonds7

About 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide

4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide (PubChem CID 80542148) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide
PubChem CID80542148
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide
SMILESCOc1ccc(CNC(=O)C(C)CCN)cc1OC
InChIInChI=1S/C14H22N2O3/c1-10(6-7-15)14(17)16-9-11-4-5-12(18-2)13(8-11)19-3/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyKWJBFTVOWRIMRG-UHFFFAOYSA-N
XLogP1.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide
CID 106111327
3-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 112522401
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide
CID 62473722
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylpropanamide
CID 94025525
(2S,3R)-2-(carbamoylamino)-N-[(3,4-dimethoxyphenyl)methyl]-3-methylpentanamide
CID 2126900
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutanamide
CID 80545171
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-methylpentyl)urea
CID 38221992
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-methylpentanoate
CID 2372721
[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-methylpentanoate
CID 8575816
4-amino-N-[(3-chlorophenyl)methyl]-2-methylbutanamide
CID 80542146

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide (CID 80542148) is 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide is COc1ccc(CNC(=O)C(C)CCN)cc1OC.
What is the InChIKey of 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide?
The InChIKey is KWJBFTVOWRIMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(6-7-15)14(17)16-9-11-4-5-12(18-2)13(8-11)19-3/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide?
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide has a molecular weight of 266.34 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 80542148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).