N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide

C38H40N2O3 — CID 175598957

IUPACN-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide
SMILESO=C(c1ccccc1)N(c1cccc(Oc2cccc(N(C(=O)c3ccccc3)C3CCCCC3)c2)c1)C1CCCCC1
InChIInChI=1S/C38H40N2O3/c41-37(29-15-5-1-6-16-29)39(31-19-9-3-10-20-31)33-23-13-25-35(27-33)43-36-26-14-24-34(28-36)40(32-21-11-4-12-22-32)38(42)30-17-7-2-8-18-30/h1-2,5-8,13-18,23-28,31-32H,3-4,9-12,19-22H2
InChIKeyWQFQXSKAPICCMY-UHFFFAOYSA-N
MW572.75 g/mol
LogP9.44
Rot. Bonds8

About N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide

N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide (PubChem CID 175598957) has the molecular formula C38H40N2O3 and a molecular weight of 572.75 g/mol. Its IUPAC name is N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide.

Molecular Properties

Compound NameN-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide
PubChem CID175598957
Molecular FormulaC38H40N2O3
Molecular Weight572.75 g/mol
Exact Mass572.30
IUPAC NameN-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide
SMILESO=C(c1ccccc1)N(c1cccc(Oc2cccc(N(C(=O)c3ccccc3)C3CCCCC3)c2)c1)C1CCCCC1
InChIInChI=1S/C38H40N2O3/c41-37(29-15-5-1-6-16-29)39(31-19-9-3-10-20-31)33-23-13-25-35(27-33)43-36-26-14-24-34(28-36)40(32-21-11-4-12-22-32)38(42)30-17-7-2-8-18-30/h1-2,5-8,13-18,23-28,31-32H,3-4,9-12,19-22H2
InChIKeyWQFQXSKAPICCMY-UHFFFAOYSA-N
XLogP9.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.75
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzoyl(cyclohexyl)amino]phenyl]-N-cyclohexylbenzamide
CID 171577199
3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91125540
N-cyclohexyl-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 90892127
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
CID 91480833
N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46054408
1-(3-phenoxyphenyl)-1-spiro[3.4]octan-2-ylurea
CID 67841363
3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91137183
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
N-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate
CID 71302923
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902946
N-(3-chlorophenyl)-N-cyclohexyl-3-[(4-cyclohexylphenoxy)methyl]benzamide
CID 174503725
3-[cycloheptyl(methyl)amino]benzoic acid
CID 102822720

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide?
The IUPAC name of N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide (CID 175598957) is N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide.
What is the SMILES notation for N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide?
The canonical SMILES for N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide is O=C(c1ccccc1)N(c1cccc(Oc2cccc(N(C(=O)c3ccccc3)C3CCCCC3)c2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide?
The InChIKey is WQFQXSKAPICCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2O3/c41-37(29-15-5-1-6-16-29)39(31-19-9-3-10-20-31)33-23-13-25-35(27-33)43-36-26-14-24-34(28-36)40(32-21-11-4-12-22-32)38(42)30-17-7-2-8-18-30/h1-2,5-8,13-18,23-28,31-32H,3-4,9-12,19-22H2.
What are the key properties of N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide?
N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide has a molecular weight of 572.75 g/mol, XLogP of 9.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[benzoyl(cyclohexyl)amino]phenoxy]phenyl]-N-cyclohexylbenzamide is sourced from PubChem (CID 175598957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).