4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide

C18H28N2O2 — CID 17257385

IUPAC4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-7-15(21)19-14-10-8-13(9-11-14)16(22)20-18(5,6)12-17(2,3)4/h8-11H,7,12H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyVOYJNXFUJGXDCC-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.98
Rot. Bonds5

About 4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide

4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 17257385) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID17257385
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-7-15(21)19-14-10-8-13(9-11-14)16(22)20-18(5,6)12-17(2,3)4/h8-11H,7,12H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyVOYJNXFUJGXDCC-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 974128
4-[(2-aminoacetyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297460
N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide
CID 110178584
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide
CID 17309747
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide
CID 2938137
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063298
3-chloro-2,2-dimethyl-N-[4-(propanoylamino)phenyl]propanamide
CID 63680174
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738250

Frequently Asked Questions

What is the IUPAC name of 4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 17257385) is 4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide is CCC(=O)Nc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1.
What is the InChIKey of 4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is VOYJNXFUJGXDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-7-15(21)19-14-10-8-13(9-11-14)16(22)20-18(5,6)12-17(2,3)4/h8-11H,7,12H2,1-6H3,(H,19,21)(H,20,22).
What are the key properties of 4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide?
4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 304.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 17257385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).