4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide

C28H31NO4 — CID 139779558

IUPAC4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCC1CCCCC1
InChIInChI=1S/C28H31NO4/c1-31-27-18-23(12-17-26(27)33-20-22-10-6-3-7-11-22)28(30)29-24-13-15-25(16-14-24)32-19-21-8-4-2-5-9-21/h2,4-5,8-9,12-18,22H,3,6-7,10-11,19-20H2,1H3,(H,29,30)
InChIKeyMAFBLVSTYYBMBP-UHFFFAOYSA-N
MW445.56 g/mol
LogP6.49
Rot. Bonds9

About 4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide

4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 139779558) has the molecular formula C28H31NO4 and a molecular weight of 445.56 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID139779558
Molecular FormulaC28H31NO4
Molecular Weight445.56 g/mol
Exact Mass445.23
IUPAC Name4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCC1CCCCC1
InChIInChI=1S/C28H31NO4/c1-31-27-18-23(12-17-26(27)33-20-22-10-6-3-7-11-22)28(30)29-24-13-15-25(16-14-24)32-19-21-8-4-2-5-9-21/h2,4-5,8-9,12-18,22H,3,6-7,10-11,19-20H2,1H3,(H,29,30)
InChIKeyMAFBLVSTYYBMBP-UHFFFAOYSA-N
XLogP6.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
CID 30147613
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119185306
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
CID 985959
[2-(3-methoxy-4-phenylmethoxybenzoyl)oxycyclohexyl] 3-methoxy-4-phenylmethoxybenzoate
CID 76808693
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide (CID 139779558) is 4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide is COc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is MAFBLVSTYYBMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO4/c1-31-27-18-23(12-17-26(27)33-20-22-10-6-3-7-11-22)28(30)29-24-13-15-25(16-14-24)32-19-21-8-4-2-5-9-21/h2,4-5,8-9,12-18,22H,3,6-7,10-11,19-20H2,1H3,(H,29,30).
What are the key properties of 4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide?
4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 445.56 g/mol, XLogP of 6.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 139779558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).