3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide

C18H22N2O3 — CID 119777160

IUPAC3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide
SMILESCOc1ccc(CC(C)NC(=O)c2cccc(N)c2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-12(20-18(21)14-5-4-6-15(19)11-14)9-13-7-8-16(22-2)17(10-13)23-3/h4-8,10-12H,9,19H2,1-3H3,(H,20,21)
InChIKeyHBUWMIHDORXDBQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.65
Rot. Bonds6

About 3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide

3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide (PubChem CID 119777160) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide
PubChem CID119777160
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide
SMILESCOc1ccc(CC(C)NC(=O)c2cccc(N)c2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-12(20-18(21)14-5-4-6-15(19)11-14)9-13-7-8-16(22-2)17(10-13)23-3/h4-8,10-12H,9,19H2,1-3H3,(H,20,21)
InChIKeyHBUWMIHDORXDBQ-UHFFFAOYSA-N
XLogP2.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
methyl 3-[(3-aminobenzoyl)amino]butanoate;hydrochloride
CID 119695196
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 139749507
methyl (2S)-2-[(3-aminobenzoyl)amino]-3-methylbutanoate
CID 61142781
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119732117
2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide
CID 43545329
4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide
CID 120591848
1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119319826
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585
methyl 2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 20624047
N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide
CID 112501675

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide?
The IUPAC name of 3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide (CID 119777160) is 3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide.
What is the SMILES notation for 3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide?
The canonical SMILES for 3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide is COc1ccc(CC(C)NC(=O)c2cccc(N)c2)cc1OC.
What is the InChIKey of 3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide?
The InChIKey is HBUWMIHDORXDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(20-18(21)14-5-4-6-15(19)11-14)9-13-7-8-16(22-2)17(10-13)23-3/h4-8,10-12H,9,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide?
3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 119777160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).