4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide

C29H40N2O4 — CID 3186773

IUPAC4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OCC)cc1NC(=O)CC1CCCCC1
InChIInChI=1S/C29H40N2O4/c1-6-34-25-19-24(31-28(33)21-13-15-22(16-14-21)29(3,4)5)26(35-7-2)18-23(25)30-27(32)17-20-11-9-8-10-12-20/h13-16,18-20H,6-12,17H2,1-5H3,(H,30,32)(H,31,33)
InChIKeyBDUUFYZZMCEWFQ-UHFFFAOYSA-N
MW480.65 g/mol
LogP6.94
Rot. Bonds9

About 4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide

4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide (PubChem CID 3186773) has the molecular formula C29H40N2O4 and a molecular weight of 480.65 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide
PubChem CID3186773
Molecular FormulaC29H40N2O4
Molecular Weight480.65 g/mol
Exact Mass480.30
IUPAC Name4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OCC)cc1NC(=O)CC1CCCCC1
InChIInChI=1S/C29H40N2O4/c1-6-34-25-19-24(31-28(33)21-13-15-22(16-14-21)29(3,4)5)26(35-7-2)18-23(25)30-27(32)17-20-11-9-8-10-12-20/h13-16,18-20H,6-12,17H2,1-5H3,(H,30,32)(H,31,33)
InChIKeyBDUUFYZZMCEWFQ-UHFFFAOYSA-N
XLogP6.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide
CID 1428135
4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 164614809
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
1-(4-tert-butylphenyl)-2-cyclohexylethanone
CID 43337749
3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide
CID 43835604
4-[(2-cyclopentylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 9244990
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide
CID 19207017
4-bromo-N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]benzamide
CID 23800683
4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1122084

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide (CID 3186773) is 4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide is CCOc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OCC)cc1NC(=O)CC1CCCCC1.
What is the InChIKey of 4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide?
The InChIKey is BDUUFYZZMCEWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O4/c1-6-34-25-19-24(31-28(33)21-13-15-22(16-14-21)29(3,4)5)26(35-7-2)18-23(25)30-27(32)17-20-11-9-8-10-12-20/h13-16,18-20H,6-12,17H2,1-5H3,(H,30,32)(H,31,33).
What are the key properties of 4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide?
4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide has a molecular weight of 480.65 g/mol, XLogP of 6.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide is sourced from PubChem (CID 3186773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).