N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide

C29H33NO4 — CID 58923644

IUPACN-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide
SMILESCOc1ccc(OCC2CCC(CNC(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C29H33NO4/c1-32-26-15-17-28(18-16-26)34-21-24-9-7-22(8-10-24)19-30-29(31)25-11-13-27(14-12-25)33-20-23-5-3-2-4-6-23/h2-6,11-18,22,24H,7-10,19-21H2,1H3,(H,30,31)
InChIKeyCHZDCVBYGBZROK-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.89
Rot. Bonds10

About N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide

N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide (PubChem CID 58923644) has the molecular formula C29H33NO4 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide
PubChem CID58923644
Molecular FormulaC29H33NO4
Molecular Weight459.59 g/mol
Exact Mass459.24
IUPAC NameN-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide
SMILESCOc1ccc(OCC2CCC(CNC(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C29H33NO4/c1-32-26-15-17-28(18-16-26)34-21-24-9-7-22(8-10-24)19-30-29(31)25-11-13-27(14-12-25)33-20-23-5-3-2-4-6-23/h2-6,11-18,22,24H,7-10,19-21H2,1H3,(H,30,31)
InChIKeyCHZDCVBYGBZROK-UHFFFAOYSA-N
XLogP5.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-phenylmethoxy-N-propylbenzamide
CID 4958389
N-methyl-4-phenylmethoxybenzamide
CID 2996745
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
1-[(4-methoxyphenyl)methyl]-3-[(4-phenylmethoxybenzoyl)amino]thiourea
CID 9478975
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide
CID 58923734
4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779558
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide (CID 58923644) is N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide is COc1ccc(OCC2CCC(CNC(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1.
What is the InChIKey of N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide?
The InChIKey is CHZDCVBYGBZROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO4/c1-32-26-15-17-28(18-16-26)34-21-24-9-7-22(8-10-24)19-30-29(31)25-11-13-27(14-12-25)33-20-23-5-3-2-4-6-23/h2-6,11-18,22,24H,7-10,19-21H2,1H3,(H,30,31).
What are the key properties of N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide?
N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide has a molecular weight of 459.59 g/mol, XLogP of 5.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 58923644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).