4-tert-butyl-N-heptan-4-ylbenzamide

C18H29NO — CID 138525805

IUPAC4-tert-butyl-N-heptan-4-ylbenzamide
SMILESCCCC(CCC)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO/c1-6-8-16(9-7-2)19-17(20)14-10-12-15(13-11-14)18(3,4)5/h10-13,16H,6-9H2,1-5H3,(H,19,20)
InChIKeyGOZAQLLXADGRMH-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.68
Rot. Bonds6

About 4-tert-butyl-N-heptan-4-ylbenzamide

4-tert-butyl-N-heptan-4-ylbenzamide (PubChem CID 138525805) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-tert-butyl-N-heptan-4-ylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-heptan-4-ylbenzamide
PubChem CID138525805
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-tert-butyl-N-heptan-4-ylbenzamide
SMILESCCCC(CCC)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO/c1-6-8-16(9-7-2)19-17(20)14-10-12-15(13-11-14)18(3,4)5/h10-13,16H,6-9H2,1-5H3,(H,19,20)
InChIKeyGOZAQLLXADGRMH-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70884493
N-octan-4-yl-4-sulfanylbenzamide
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4-tert-butyl-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]butan-2-yl]benzamide
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4-amino-N-hexan-3-ylbenzamide
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4-tert-butyl-N-[3-oxo-3-(pentan-2-ylamino)propyl]benzamide
CID 18166332
1-(4-tert-butylphenyl)-2-methylpentan-1-one
CID 43160032
N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide
CID 70883939
4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide
CID 112771460
3-[(4-tert-butylbenzoyl)amino]butanoic acid
CID 18370033
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide
CID 106027950

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-heptan-4-ylbenzamide?
The IUPAC name of 4-tert-butyl-N-heptan-4-ylbenzamide (CID 138525805) is 4-tert-butyl-N-heptan-4-ylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-heptan-4-ylbenzamide?
The canonical SMILES for 4-tert-butyl-N-heptan-4-ylbenzamide is CCCC(CCC)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-heptan-4-ylbenzamide?
The InChIKey is GOZAQLLXADGRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-8-16(9-7-2)19-17(20)14-10-12-15(13-11-14)18(3,4)5/h10-13,16H,6-9H2,1-5H3,(H,19,20).
What are the key properties of 4-tert-butyl-N-heptan-4-ylbenzamide?
4-tert-butyl-N-heptan-4-ylbenzamide has a molecular weight of 275.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-heptan-4-ylbenzamide is sourced from PubChem (CID 138525805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).