N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide

C18H18N2O3 — CID 34830762

IUPACN-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H18N2O3/c1-12-6-8-14(9-7-12)18(23)19-11-17(22)20-16-5-3-4-15(10-16)13(2)21/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyGTRBAPXFOYCPTJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide

N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide (PubChem CID 34830762) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
PubChem CID34830762
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H18N2O3/c1-12-6-8-14(9-7-12)18(23)19-11-17(22)20-16-5-3-4-15(10-16)13(2)21/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyGTRBAPXFOYCPTJ-UHFFFAOYSA-N
XLogP2.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
N-[2-(3-acetylanilino)-2-oxoethyl]-4-(difluoromethoxy)benzamide
CID 7780383
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid
CID 90870302
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
2-[[3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzoyl]amino]acetic acid
CID 75429323
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide (CID 34830762) is N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide is CC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide?
The InChIKey is GTRBAPXFOYCPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-6-8-14(9-7-12)18(23)19-11-17(22)20-16-5-3-4-15(10-16)13(2)21/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide?
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide has a molecular weight of 310.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 34830762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).