N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide

C15H22N2O2 — CID 17309747

IUPACN-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC(C)(C)CC)c1
InChIInChI=1S/C15H22N2O2/c1-5-13(18)16-12-9-7-8-11(10-12)14(19)17-15(3,4)6-2/h7-10H,5-6H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyVNFZNPHFXXYXEK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.95
Rot. Bonds5

About N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide

N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide (PubChem CID 17309747) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide
PubChem CID17309747
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC(C)(C)CC)c1
InChIInChI=1S/C15H22N2O2/c1-5-13(18)16-12-9-7-8-11(10-12)14(19)17-15(3,4)6-2/h7-10H,5-6H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyVNFZNPHFXXYXEK-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide
CID 51144044
3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 99193425
N-(3-acetylphenyl)propanamide
CID 903063
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307
3-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 5204623
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide
CID 109381094
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
3-(propanoylamino)-N-(1,2,4-triazol-4-yl)benzamide
CID 17309540

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide (CID 17309747) is N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)NC(C)(C)CC)c1.
What is the InChIKey of N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide?
The InChIKey is VNFZNPHFXXYXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-13(18)16-12-9-7-8-11(10-12)14(19)17-15(3,4)6-2/h7-10H,5-6H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide?
N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide has a molecular weight of 262.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 17309747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).