N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide

C28H38N2O4 — CID 19207017

IUPACN-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide
SMILESCCCCC1CCC(C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)CC1
InChIInChI=1S/C28H38N2O4/c1-4-7-11-20-14-16-22(17-15-20)28(32)30-24-19-25(33-5-2)23(18-26(24)34-6-3)29-27(31)21-12-9-8-10-13-21/h8-10,12-13,18-20,22H,4-7,11,14-17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyNBVTWMULQAKYSD-UHFFFAOYSA-N
MW466.62 g/mol
LogP6.67
Rot. Bonds11

About N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide

N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide (PubChem CID 19207017) has the molecular formula C28H38N2O4 and a molecular weight of 466.62 g/mol. Its IUPAC name is N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide
PubChem CID19207017
Molecular FormulaC28H38N2O4
Molecular Weight466.62 g/mol
Exact Mass466.28
IUPAC NameN-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide
SMILESCCCCC1CCC(C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)CC1
InChIInChI=1S/C28H38N2O4/c1-4-7-11-20-14-16-22(17-15-20)28(32)30-24-19-25(33-5-2)23(18-26(24)34-6-3)29-27(31)21-12-9-8-10-13-21/h8-10,12-13,18-20,22H,4-7,11,14-17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyNBVTWMULQAKYSD-UHFFFAOYSA-N
XLogP6.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-(2-bromoethyl)-2-ethoxyphenyl]-4-butylcyclohexane-1-carboxamide
CID 82259227
4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 19206893
N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 1428132
4-(cyclopropanecarbonylamino)-N-(2-ethoxyphenyl)benzamide
CID 2995907
N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 91659324
N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide
CID 119679316
N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 108795354
N-(3-acetylphenyl)-4-butylcyclohexane-1-carboxamide
CID 19206974
4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide
CID 107606787
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82258653

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide?
The IUPAC name of N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide (CID 19207017) is N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide is CCCCC1CCC(C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)CC1.
What is the InChIKey of N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide?
The InChIKey is NBVTWMULQAKYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O4/c1-4-7-11-20-14-16-22(17-15-20)28(32)30-24-19-25(33-5-2)23(18-26(24)34-6-3)29-27(31)21-12-9-8-10-13-21/h8-10,12-13,18-20,22H,4-7,11,14-17H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide?
N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide has a molecular weight of 466.62 g/mol, XLogP of 6.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-butylcyclohexanecarbonyl)amino]-2,5-diethoxyphenyl]benzamide is sourced from PubChem (CID 19207017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).