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

C14H22N2O4 — CID 62473722

IUPAC2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22N2O4/c1-18-7-6-11(15)14(17)16-9-10-4-5-12(19-2)13(8-10)20-3/h4-5,8,11H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyPXSBHPNJRGAMRR-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.68
Rot. Bonds8

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

2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide (PubChem CID 62473722) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide
PubChem CID62473722
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22N2O4/c1-18-7-6-11(15)14(17)16-9-10-4-5-12(19-2)13(8-10)20-3/h4-5,8,11H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyPXSBHPNJRGAMRR-UHFFFAOYSA-N
XLogP0.68
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
CID 120983886
(2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide
CID 119714660
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide
CID 80542148
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
2-amino-N-[(3-methoxy-4-methylphenyl)methyl]pentanamide;hydrochloride
CID 119302579
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide
CID 106111327
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589
methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
CID 170884561
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylpropanamide
CID 94025525
(2S,3R)-2-(carbamoylamino)-N-[(3,4-dimethoxyphenyl)methyl]-3-methylpentanamide
CID 2126900
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide (CID 62473722) is 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide is COCCC(N)C(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide?
The InChIKey is PXSBHPNJRGAMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-18-7-6-11(15)14(17)16-9-10-4-5-12(19-2)13(8-10)20-3/h4-5,8,11H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide?
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide has a molecular weight of 282.34 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide is sourced from PubChem (CID 62473722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).