N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide

C18H20N2O3 — CID 51194801

IUPACN-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide
SMILESCOc1cccc(NC(=O)CC(C)NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13(19-18(22)14-7-4-3-5-8-14)11-17(21)20-15-9-6-10-16(12-15)23-2/h3-10,12-13H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyHGSMQSROKPJDTA-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.84
Rot. Bonds6

About N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide

N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide (PubChem CID 51194801) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide
PubChem CID51194801
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide
SMILESCOc1cccc(NC(=O)CC(C)NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13(19-18(22)14-7-4-3-5-8-14)11-17(21)20-15-9-6-10-16(12-15)23-2/h3-10,12-13H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyHGSMQSROKPJDTA-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(3-benzamidobutanoylamino)benzoate
CID 46612606
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-methylbutanoate
CID 2582854
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide
CID 25408367
N-[4-(3-nitroanilino)-4-oxobutan-2-yl]benzamide
CID 51194826
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840781
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51317181
3-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 2910619
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 36915136

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide (CID 51194801) is N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide is COc1cccc(NC(=O)CC(C)NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide?
The InChIKey is HGSMQSROKPJDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(19-18(22)14-7-4-3-5-8-14)11-17(21)20-15-9-6-10-16(12-15)23-2/h3-10,12-13H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide?
N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51194801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).