N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide

C30H28N2O4 — CID 17222007

IUPACN-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)c1)c1ccccc1
InChIInChI=1S/C30H28N2O4/c1-2-32(26-14-5-3-6-15-26)30(34)24-12-9-13-25(21-24)31-29(33)23-11-10-18-28(22-23)36-20-19-35-27-16-7-4-8-17-27/h3-18,21-22H,2,19-20H2,1H3,(H,31,33)
InChIKeyRRAQXLDEJSPWSL-UHFFFAOYSA-N
MW480.56 g/mol
LogP6.06
Rot. Bonds10

About N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide

N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide (PubChem CID 17222007) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide
PubChem CID17222007
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC NameN-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)c1)c1ccccc1
InChIInChI=1S/C30H28N2O4/c1-2-32(26-14-5-3-6-15-26)30(34)24-12-9-13-25(21-24)31-29(33)23-11-10-18-28(22-23)36-20-19-35-27-16-7-4-8-17-27/h3-18,21-22H,2,19-20H2,1H3,(H,31,33)
InChIKeyRRAQXLDEJSPWSL-UHFFFAOYSA-N
XLogP6.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 56.06
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

3-[(4-ethoxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17221972
N,N-diethyl-3-[[3-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 55996557
N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17221980
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
N-ethyl-N-phenyl-3-(2-phenylethoxy)benzamide
CID 17134260
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17230251
N-ethyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838884
N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
N-ethyl-4-(2-phenoxyethoxy)-N-phenylbenzamide
CID 4952665

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide?
The IUPAC name of N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide (CID 17222007) is N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide is CCN(C(=O)c1cccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)c1)c1ccccc1.
What is the InChIKey of N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide?
The InChIKey is RRAQXLDEJSPWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-2-32(26-14-5-3-6-15-26)30(34)24-12-9-13-25(21-24)31-29(33)23-11-10-18-28(22-23)36-20-19-35-27-16-7-4-8-17-27/h3-18,21-22H,2,19-20H2,1H3,(H,31,33).
What are the key properties of N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide?
N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide has a molecular weight of 480.56 g/mol, XLogP of 6.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 17222007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).