3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide

C16H24N2O2 — CID 899507

IUPAC3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-5-13(6-2)17-16(20)12-8-7-9-14(10-12)18-15(19)11(3)4/h7-11,13H,5-6H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyLTXXRHZUWOXVCZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.20
Rot. Bonds6

About 3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide

3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide (PubChem CID 899507) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide
PubChem CID899507
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-5-13(6-2)17-16(20)12-8-7-9-14(10-12)18-15(19)11(3)4/h7-11,13H,5-6H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyLTXXRHZUWOXVCZ-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
CID 60527660
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1214324
N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1241661
3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide
CID 43693956

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide?
The IUPAC name of 3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide (CID 899507) is 3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide?
The InChIKey is LTXXRHZUWOXVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-13(6-2)17-16(20)12-8-7-9-14(10-12)18-15(19)11(3)4/h7-11,13H,5-6H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide?
3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 899507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).