4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide

C19H28N2O3 — CID 110877644

IUPAC4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)14-6-4-13(5-7-14)18(24)20-12-17(23)21-15-8-10-16(22)11-9-15/h4-7,15-16,22H,8-12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyKTUBUPOXCBTNDM-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.13
Rot. Bonds4

About 4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide (PubChem CID 110877644) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide
PubChem CID110877644
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C19H28N2O3/c1-19(2,3)14-6-4-13(5-7-14)18(24)20-12-17(23)21-15-8-10-16(22)11-9-15/h4-7,15-16,22H,8-12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyKTUBUPOXCBTNDM-UHFFFAOYSA-N
XLogP2.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylanilino)-N-cyclopropylacetamide
CID 28571999
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24692664
4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 27886797
N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 119389396
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 33295122
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide
CID 43568343
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880563
4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24982875

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide (CID 110877644) is 4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide?
The InChIKey is KTUBUPOXCBTNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)14-6-4-13(5-7-14)18(24)20-12-17(23)21-15-8-10-16(22)11-9-15/h4-7,15-16,22H,8-12H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide has a molecular weight of 332.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 110877644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).