3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

C14H21N3O3 — CID 61476385

IUPAC3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C14H21N3O3/c1-4-7-16-13(18)9(2)17-14(19)10-5-6-12(20-3)11(15)8-10/h5-6,8-9H,4,7,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyOBIBJEBOLSEERW-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.92
Rot. Bonds6

About 3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 61476385) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID61476385
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C14H21N3O3/c1-4-7-16-13(18)9(2)17-14(19)10-5-6-12(20-3)11(15)8-10/h5-6,8-9H,4,7,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyOBIBJEBOLSEERW-UHFFFAOYSA-N
XLogP0.92
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46655429
3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide
CID 27861011
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
4-bromo-3,5-dimethoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 17412288
2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733093
methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate
CID 8733711
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43567615
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybenzamide
CID 82945494
3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65050177

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 61476385) is 3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)C(C)NC(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is OBIBJEBOLSEERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-7-16-13(18)9(2)17-14(19)10-5-6-12(20-3)11(15)8-10/h5-6,8-9H,4,7,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 61476385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).