N,3,5-tri(propan-2-yl)benzamide

C16H25NO — CID 168742850

IUPACN,3,5-tri(propan-2-yl)benzamide
SMILESCC(C)NC(=O)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C16H25NO/c1-10(2)13-7-14(11(3)4)9-15(8-13)16(18)17-12(5)6/h7-12H,1-6H3,(H,17,18)
InChIKeyCACLITRUXSTZLT-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.07
Rot. Bonds4

About N,3,5-tri(propan-2-yl)benzamide

N,3,5-tri(propan-2-yl)benzamide (PubChem CID 168742850) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N,3,5-tri(propan-2-yl)benzamide.

Molecular Properties

Compound NameN,3,5-tri(propan-2-yl)benzamide
PubChem CID168742850
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN,3,5-tri(propan-2-yl)benzamide
SMILESCC(C)NC(=O)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C16H25NO/c1-10(2)13-7-14(11(3)4)9-15(8-13)16(18)17-12(5)6/h7-12H,1-6H3,(H,17,18)
InChIKeyCACLITRUXSTZLT-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
3,5-di(propan-2-yl)benzenecarboperoxoic acid
CID 175573389
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 17180586
5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 21084966
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
3-methyl-N,4-di(propan-2-yl)benzamide
CID 59515405
3-bromo-5-methoxy-N-propan-2-ylbenzamide
CID 138985588
3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 58903239
4-chloro-N-propan-2-ylbenzamide
CID 24045
6-methyl-N,5-di(propan-2-yl)pyridine-3-carboxamide
CID 170617850
4-chloro-3,5-dinitro-N-propan-2-ylbenzamide
CID 4628263
3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide
CID 100619240

Frequently Asked Questions

What is the IUPAC name of N,3,5-tri(propan-2-yl)benzamide?
The IUPAC name of N,3,5-tri(propan-2-yl)benzamide (CID 168742850) is N,3,5-tri(propan-2-yl)benzamide.
What is the SMILES notation for N,3,5-tri(propan-2-yl)benzamide?
The canonical SMILES for N,3,5-tri(propan-2-yl)benzamide is CC(C)NC(=O)c1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of N,3,5-tri(propan-2-yl)benzamide?
The InChIKey is CACLITRUXSTZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10(2)13-7-14(11(3)4)9-15(8-13)16(18)17-12(5)6/h7-12H,1-6H3,(H,17,18).
What are the key properties of N,3,5-tri(propan-2-yl)benzamide?
N,3,5-tri(propan-2-yl)benzamide has a molecular weight of 247.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-tri(propan-2-yl)benzamide is sourced from PubChem (CID 168742850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).