N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide

C29H26N2O4 — CID 17230251

IUPACN-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
SMILESCN(C(=O)c1ccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1)c1ccccc1
InChIInChI=1S/C29H26N2O4/c1-31(25-10-4-2-5-11-25)29(33)22-15-17-24(18-16-22)30-28(32)23-9-8-14-27(21-23)35-20-19-34-26-12-6-3-7-13-26/h2-18,21H,19-20H2,1H3,(H,30,32)
InChIKeyVQUBPWRKGYVKFZ-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.67
Rot. Bonds9

About N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide

N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide (PubChem CID 17230251) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
PubChem CID17230251
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC NameN-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
SMILESCN(C(=O)c1ccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1)c1ccccc1
InChIInChI=1S/C29H26N2O4/c1-31(25-10-4-2-5-11-25)29(33)22-15-17-24(18-16-22)30-28(32)23-9-8-14-27(21-23)35-20-19-34-26-12-6-3-7-13-26/h2-18,21H,19-20H2,1H3,(H,30,32)
InChIKeyVQUBPWRKGYVKFZ-UHFFFAOYSA-N
XLogP5.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-methyl-N-phenylbenzamide
CID 17230295
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide
CID 17230240
N-[4-(dimethylcarbamoyl)phenyl]-3-(2-ethoxyethoxy)benzamide
CID 17231253
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083
N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17222007
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide (CID 17230251) is N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide is CN(C(=O)c1ccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide?
The InChIKey is VQUBPWRKGYVKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-31(25-10-4-2-5-11-25)29(33)22-15-17-24(18-16-22)30-28(32)23-9-8-14-27(21-23)35-20-19-34-26-12-6-3-7-13-26/h2-18,21H,19-20H2,1H3,(H,30,32).
What are the key properties of N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide?
N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide has a molecular weight of 466.54 g/mol, XLogP of 5.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 17230251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).