phenacyl 4-[(4-methoxybenzoyl)amino]benzoate

C23H19NO5 — CID 2915560

IUPACphenacyl 4-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H19NO5/c1-28-20-13-9-17(10-14-20)22(26)24-19-11-7-18(8-12-19)23(27)29-15-21(25)16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,24,26)
InChIKeyQMZQCDJTQSQHRA-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.99
Rot. Bonds7

About phenacyl 4-[(4-methoxybenzoyl)amino]benzoate

phenacyl 4-[(4-methoxybenzoyl)amino]benzoate (PubChem CID 2915560) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is phenacyl 4-[(4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namephenacyl 4-[(4-methoxybenzoyl)amino]benzoate
PubChem CID2915560
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Namephenacyl 4-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H19NO5/c1-28-20-13-9-17(10-14-20)22(26)24-19-11-7-18(8-12-19)23(27)29-15-21(25)16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,24,26)
InChIKeyQMZQCDJTQSQHRA-UHFFFAOYSA-N
XLogP3.99
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

VU0357121
CID 2296132
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
CID 22431219
4-methoxy-N-naphthalen-2-ylbenzamide
CID 224146
N-(4-benzoylphenyl)-3-methoxybenzamide
CID 837710
4-[[(4-Methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester
CID 970268
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1034712
3-[(4-Methoxybenzoyl)amino]benzoic acid
CID 584683
3-[(4-Butoxybenzoyl)amino]benzoic acid
CID 1712309
4-[(3-Methoxybenzoyl)amino]benzoic acid
CID 3240131
4-methoxy-N-phenylbenzamide
CID 346037

Frequently Asked Questions

What is the IUPAC name of phenacyl 4-[(4-methoxybenzoyl)amino]benzoate?
The IUPAC name of phenacyl 4-[(4-methoxybenzoyl)amino]benzoate (CID 2915560) is phenacyl 4-[(4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for phenacyl 4-[(4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for phenacyl 4-[(4-methoxybenzoyl)amino]benzoate is COc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of phenacyl 4-[(4-methoxybenzoyl)amino]benzoate?
The InChIKey is QMZQCDJTQSQHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-28-20-13-9-17(10-14-20)22(26)24-19-11-7-18(8-12-19)23(27)29-15-21(25)16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,24,26).
What are the key properties of phenacyl 4-[(4-methoxybenzoyl)amino]benzoate?
phenacyl 4-[(4-methoxybenzoyl)amino]benzoate has a molecular weight of 389.41 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 4-[(4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 2915560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).