N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide

C20H23N3O3 — CID 108541876

IUPACN-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCNC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-13-7-8-17(11-14(13)2)20(26)22-10-9-21-19(25)16-5-4-6-18(12-16)23-15(3)24/h4-8,11-12H,9-10H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyJPOPBGZMQIYDSG-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.42
Rot. Bonds6

About N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide

N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide (PubChem CID 108541876) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
PubChem CID108541876
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCNC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-13-7-8-17(11-14(13)2)20(26)22-10-9-21-19(25)16-5-4-6-18(12-16)23-15(3)24/h4-8,11-12H,9-10H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyJPOPBGZMQIYDSG-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
CID 110793351
3-acetamido-N-ethylbenzamide
CID 17230670
3-acetamido-N-[2-(2,5-dimethylphenyl)ethyl]benzamide
CID 110795085
3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-2-sulfanylbenzamide
CID 108541848
[3-[2-[(3,4-dimethylbenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537513
3-acetamido-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108541864

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide (CID 108541876) is N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide is CC(=O)Nc1cccc(C(=O)NCCNC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide?
The InChIKey is JPOPBGZMQIYDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-7-8-17(11-14(13)2)20(26)22-10-9-21-19(25)16-5-4-6-18(12-16)23-15(3)24/h4-8,11-12H,9-10H2,1-3H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide?
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide has a molecular weight of 353.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 108541876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).