3-(2-methylpropanoylamino)-N-propylbenzamide

C14H20N2O2 — CID 2186211

IUPAC3-(2-methylpropanoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-4-8-15-14(18)11-6-5-7-12(9-11)16-13(17)10(2)3/h5-7,9-10H,4,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyAKNDUBJXXCXVEA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.42
Rot. Bonds5

About 3-(2-methylpropanoylamino)-N-propylbenzamide

3-(2-methylpropanoylamino)-N-propylbenzamide (PubChem CID 2186211) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(2-methylpropanoylamino)-N-propylbenzamide.

Molecular Properties

Compound Name3-(2-methylpropanoylamino)-N-propylbenzamide
PubChem CID2186211
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(2-methylpropanoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-4-8-15-14(18)11-6-5-7-12(9-11)16-13(17)10(2)3/h5-7,9-10H,4,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyAKNDUBJXXCXVEA-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoylamino)-N-propylbenzamide?
The IUPAC name of 3-(2-methylpropanoylamino)-N-propylbenzamide (CID 2186211) is 3-(2-methylpropanoylamino)-N-propylbenzamide.
What is the SMILES notation for 3-(2-methylpropanoylamino)-N-propylbenzamide?
The canonical SMILES for 3-(2-methylpropanoylamino)-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 3-(2-methylpropanoylamino)-N-propylbenzamide?
The InChIKey is AKNDUBJXXCXVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-8-15-14(18)11-6-5-7-12(9-11)16-13(17)10(2)3/h5-7,9-10H,4,8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3-(2-methylpropanoylamino)-N-propylbenzamide?
3-(2-methylpropanoylamino)-N-propylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoylamino)-N-propylbenzamide is sourced from PubChem (CID 2186211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).