N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide

C29H27NO3 — CID 69249899

IUPACN-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c1
InChIInChI=1S/C29H27NO3/c1-2-22-14-9-15-25(18-22)30-29(31)27-17-16-26(32-20-23-10-5-3-6-11-23)19-28(27)33-21-24-12-7-4-8-13-24/h3-19H,2,20-21H2,1H3,(H,30,31)
InChIKeyTYEGASJCBHXLRK-UHFFFAOYSA-N
MW437.54 g/mol
LogP6.66
Rot. Bonds9

About N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide

N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide (PubChem CID 69249899) has the molecular formula C29H27NO3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
PubChem CID69249899
Molecular FormulaC29H27NO3
Molecular Weight437.54 g/mol
Exact Mass437.20
IUPAC NameN-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c1
InChIInChI=1S/C29H27NO3/c1-2-22-14-9-15-25(18-22)30-29(31)27-17-16-26(32-20-23-10-5-3-6-11-23)19-28(27)33-21-24-12-7-4-8-13-24/h3-19H,2,20-21H2,1H3,(H,30,31)
InChIKeyTYEGASJCBHXLRK-UHFFFAOYSA-N
XLogP6.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
4-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide
CID 11327512
4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid
CID 66574423
2-[(3-ethylphenyl)carbamoyl]benzoic acid;propan-2-one
CID 123349577
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid
CID 10137340
2-bromo-N-(3-ethynylphenyl)-4-phenylmethoxybenzamide
CID 174760803
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide?
The IUPAC name of N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide (CID 69249899) is N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide.
What is the SMILES notation for N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide?
The canonical SMILES for N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide is CCc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide?
The InChIKey is TYEGASJCBHXLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO3/c1-2-22-14-9-15-25(18-22)30-29(31)27-17-16-26(32-20-23-10-5-3-6-11-23)19-28(27)33-21-24-12-7-4-8-13-24/h3-19H,2,20-21H2,1H3,(H,30,31).
What are the key properties of N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide?
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide has a molecular weight of 437.54 g/mol, XLogP of 6.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide is sourced from PubChem (CID 69249899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).