3-acetamido-4-methoxy-N-propylbenzamide

C13H18N2O3 — CID 110764204

IUPAC3-acetamido-4-methoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C13H18N2O3/c1-4-7-14-13(17)10-5-6-12(18-3)11(8-10)15-9(2)16/h5-6,8H,4,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyCFMARXYJAQOAJP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.79
Rot. Bonds5

About 3-acetamido-4-methoxy-N-propylbenzamide

3-acetamido-4-methoxy-N-propylbenzamide (PubChem CID 110764204) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-acetamido-4-methoxy-N-propylbenzamide.

Molecular Properties

Compound Name3-acetamido-4-methoxy-N-propylbenzamide
PubChem CID110764204
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-acetamido-4-methoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C13H18N2O3/c1-4-7-14-13(17)10-5-6-12(18-3)11(8-10)15-9(2)16/h5-6,8H,4,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyCFMARXYJAQOAJP-UHFFFAOYSA-N
XLogP1.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
CID 110764209
4-methoxy-3-(propylcarbamoylamino)benzoic acid
CID 63744455
3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110764229
3-tert-butyl-4-methoxy-N-propylbenzamide
CID 110761278
4-methoxy-3-(propylcarbamothioylamino)benzoic acid
CID 100555293
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
CID 65368631
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218730
3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide
CID 19813861

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methoxy-N-propylbenzamide?
The IUPAC name of 3-acetamido-4-methoxy-N-propylbenzamide (CID 110764204) is 3-acetamido-4-methoxy-N-propylbenzamide.
What is the SMILES notation for 3-acetamido-4-methoxy-N-propylbenzamide?
The canonical SMILES for 3-acetamido-4-methoxy-N-propylbenzamide is CCCNC(=O)c1ccc(OC)c(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-4-methoxy-N-propylbenzamide?
The InChIKey is CFMARXYJAQOAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-7-14-13(17)10-5-6-12(18-3)11(8-10)15-9(2)16/h5-6,8H,4,7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-acetamido-4-methoxy-N-propylbenzamide?
3-acetamido-4-methoxy-N-propylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methoxy-N-propylbenzamide is sourced from PubChem (CID 110764204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).