N-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide

C20H23N3O3 — CID 46987802

IUPACN-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide
SMILESCC(=O)NC(C)CC(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-13-6-4-7-16(10-13)20(26)23-18-9-5-8-17(12-18)22-19(25)11-14(2)21-15(3)24/h4-10,12,14H,11H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyXGSCXBAZJAOEEL-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.10
Rot. Bonds6

About N-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide

N-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide (PubChem CID 46987802) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide
PubChem CID46987802
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide
SMILESCC(=O)NC(C)CC(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-13-6-4-7-16(10-13)20(26)23-18-9-5-8-17(12-18)22-19(25)11-14(2)21-15(3)24/h4-10,12,14H,11H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyXGSCXBAZJAOEEL-UHFFFAOYSA-N
XLogP3.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381
3-[[3-(3-methylbutanoylamino)phenyl]carbamoyl]benzoic acid
CID 2232856
3-methyl-N-[4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54833495
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide
CID 9325774
3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide
CID 54840407
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide (CID 46987802) is N-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide is CC(=O)NC(C)CC(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1.
What is the InChIKey of N-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide?
The InChIKey is XGSCXBAZJAOEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-6-4-7-16(10-13)20(26)23-18-9-5-8-17(12-18)22-19(25)11-14(2)21-15(3)24/h4-10,12,14H,11H2,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide?
N-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetamidobutanoylamino)phenyl]-3-methylbenzamide is sourced from PubChem (CID 46987802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).