N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide

C24H23N3O4 — CID 37013397

IUPACN-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23N3O4/c1-16(28)26-20-12-13-22(31-2)21(14-20)27-23(29)15-25-24(30)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeySCWKUBRDVSXDNT-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.69
Rot. Bonds7

About N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide

N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide (PubChem CID 37013397) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
PubChem CID37013397
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23N3O4/c1-16(28)26-20-12-13-22(31-2)21(14-20)27-23(29)15-25-24(30)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,25,30)(H,26,28)(H,27,29)
InChIKeySCWKUBRDVSXDNT-UHFFFAOYSA-N
XLogP3.69
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-methoxy-3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 131925236
N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide
CID 90459234
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 46551082
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 36915136
N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
CID 38629097
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17476660
N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide
CID 90459882
4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 24614766
N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide
CID 110792956
N-(5-acetamido-2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 8641820
N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide
CID 55945079

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide (CID 37013397) is N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide is COc1ccc(NC(C)=O)cc1NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is SCWKUBRDVSXDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16(28)26-20-12-13-22(31-2)21(14-20)27-23(29)15-25-24(30)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide?
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 417.47 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 37013397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).