4-methoxy-3-(2-phenoxypropanoylamino)benzamide

C17H18N2O4 — CID 5341454

IUPAC4-methoxy-3-(2-phenoxypropanoylamino)benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C17H18N2O4/c1-11(23-13-6-4-3-5-7-13)17(21)19-14-10-12(16(18)20)8-9-15(14)22-2/h3-11H,1-2H3,(H2,18,20)(H,19,21)
InChIKeyIORCXVDBOGPMOQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.20
Rot. Bonds6

About 4-methoxy-3-(2-phenoxypropanoylamino)benzamide

4-methoxy-3-(2-phenoxypropanoylamino)benzamide (PubChem CID 5341454) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-methoxy-3-(2-phenoxypropanoylamino)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(2-phenoxypropanoylamino)benzamide
PubChem CID5341454
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-methoxy-3-(2-phenoxypropanoylamino)benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C17H18N2O4/c1-11(23-13-6-4-3-5-7-13)17(21)19-14-10-12(16(18)20)8-9-15(14)22-2/h3-11H,1-2H3,(H2,18,20)(H,19,21)
InChIKeyIORCXVDBOGPMOQ-UHFFFAOYSA-N
XLogP2.20
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 2856840
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833581
2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 19203871
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555
methyl 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 17462373
methyl 4-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965358
methyl 4-chloro-3-[[(2S)-2-phenoxypropanoyl]amino]benzoate
CID 1041019
4-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 8946649
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7698294

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-phenoxypropanoylamino)benzamide?
The IUPAC name of 4-methoxy-3-(2-phenoxypropanoylamino)benzamide (CID 5341454) is 4-methoxy-3-(2-phenoxypropanoylamino)benzamide.
What is the SMILES notation for 4-methoxy-3-(2-phenoxypropanoylamino)benzamide?
The canonical SMILES for 4-methoxy-3-(2-phenoxypropanoylamino)benzamide is COc1ccc(C(N)=O)cc1NC(=O)C(C)Oc1ccccc1.
What is the InChIKey of 4-methoxy-3-(2-phenoxypropanoylamino)benzamide?
The InChIKey is IORCXVDBOGPMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(23-13-6-4-3-5-7-13)17(21)19-14-10-12(16(18)20)8-9-15(14)22-2/h3-11H,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of 4-methoxy-3-(2-phenoxypropanoylamino)benzamide?
4-methoxy-3-(2-phenoxypropanoylamino)benzamide has a molecular weight of 314.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-phenoxypropanoylamino)benzamide is sourced from PubChem (CID 5341454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).