4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide

C18H18N2O4 — CID 51090288

IUPAC4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4/c1-24-16-9-7-13(18(19)23)11-14(16)20-17(22)10-8-15(21)12-5-3-2-4-6-12/h2-7,9,11H,8,10H2,1H3,(H2,19,23)(H,20,22)
InChIKeyRJIRYFDFFRCCBP-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.40
Rot. Bonds7

About 4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide

4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide (PubChem CID 51090288) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide
PubChem CID51090288
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C18H18N2O4/c1-24-16-9-7-13(18(19)23)11-14(16)20-17(22)10-8-15(21)12-5-3-2-4-6-12/h2-7,9,11H,8,10H2,1H3,(H2,19,23)(H,20,22)
InChIKeyRJIRYFDFFRCCBP-UHFFFAOYSA-N
XLogP2.40
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(4-phenylbutanoylamino)benzamide
CID 166190408
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide
CID 55964273
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
3-[(4-oxo-4-phenylbutanoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196561
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
4-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 26709895
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide?
The IUPAC name of 4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide (CID 51090288) is 4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide.
What is the SMILES notation for 4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide?
The canonical SMILES for 4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide is COc1ccc(C(N)=O)cc1NC(=O)CCC(=O)c1ccccc1.
What is the InChIKey of 4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide?
The InChIKey is RJIRYFDFFRCCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-24-16-9-7-13(18(19)23)11-14(16)20-17(22)10-8-15(21)12-5-3-2-4-6-12/h2-7,9,11H,8,10H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of 4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide?
4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide has a molecular weight of 326.35 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-oxo-4-phenylbutanoyl)amino]benzamide is sourced from PubChem (CID 51090288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).