3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide

C14H20N2O2 — CID 108542747

IUPAC3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-4-13(17)15-7-8-16-14(18)12-6-5-10(2)11(3)9-12/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyUOKIIIAYAJATQH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.56
Rot. Bonds5

About 3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide

3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide (PubChem CID 108542747) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
PubChem CID108542747
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-4-13(17)15-7-8-16-14(18)12-6-5-10(2)11(3)9-12/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyUOKIIIAYAJATQH-UHFFFAOYSA-N
XLogP1.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
CID 108574738
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108574747
N-hexyl-3,4-dimethylbenzamide
CID 4523484
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108542336
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
CID 108542880
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240
N-(5-iodopentyl)-3,4-dimethylbenzamide
CID 107322453
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120523616

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide (CID 108542747) is 3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide is CCC(=O)NCCNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide?
The InChIKey is UOKIIIAYAJATQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-13(17)15-7-8-16-14(18)12-6-5-10(2)11(3)9-12/h5-6,9H,4,7-8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide?
3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide is sourced from PubChem (CID 108542747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).