2-(2-methylpropanoylamino)-N-propylbenzamide

C14H20N2O2 — CID 31287518

IUPAC2-(2-methylpropanoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C(C)C
InChIInChI=1S/C14H20N2O2/c1-4-9-15-14(18)11-7-5-6-8-12(11)16-13(17)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyZSHJIMFZNKNFJS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.42
Rot. Bonds5

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

2-(2-methylpropanoylamino)-N-propylbenzamide (PubChem CID 31287518) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)-N-propylbenzamide.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)-N-propylbenzamide
PubChem CID31287518
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-methylpropanoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)C(C)C
InChIInChI=1S/C14H20N2O2/c1-4-9-15-14(18)11-7-5-6-8-12(11)16-13(17)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyZSHJIMFZNKNFJS-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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Related Compounds

2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660374
2-[[(2S)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660375
2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide
CID 24710893
N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride
CID 45370530
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
CID 42906301
2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 30548525
2-hydrazinyl-N-propylbenzamide
CID 62238054
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
N-butyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 46585555

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)-N-propylbenzamide?
The IUPAC name of 2-(2-methylpropanoylamino)-N-propylbenzamide (CID 31287518) is 2-(2-methylpropanoylamino)-N-propylbenzamide.
What is the SMILES notation for 2-(2-methylpropanoylamino)-N-propylbenzamide?
The canonical SMILES for 2-(2-methylpropanoylamino)-N-propylbenzamide is CCCNC(=O)c1ccccc1NC(=O)C(C)C.
What is the InChIKey of 2-(2-methylpropanoylamino)-N-propylbenzamide?
The InChIKey is ZSHJIMFZNKNFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-9-15-14(18)11-7-5-6-8-12(11)16-13(17)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-(2-methylpropanoylamino)-N-propylbenzamide?
2-(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 2-(2-methylpropanoylamino)-N-propylbenzamide is sourced from PubChem (CID 31287518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).