4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide

C26H28N2O3 — CID 17229697

IUPAC4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-4-19(3)31-24-17-13-20(14-18-24)25(29)27-22-15-11-21(12-16-22)26(30)28(5-2)23-9-7-6-8-10-23/h6-19H,4-5H2,1-3H3,(H,27,29)
InChIKeyWDXKUMXKRJHTQV-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.78
Rot. Bonds8

About 4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide

4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide (PubChem CID 17229697) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
PubChem CID17229697
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-4-19(3)31-24-17-13-20(14-18-24)25(29)27-22-15-11-21(12-16-22)26(30)28(5-2)23-9-7-6-8-10-23/h6-19H,4-5H2,1-3H3,(H,27,29)
InChIKeyWDXKUMXKRJHTQV-UHFFFAOYSA-N
XLogP5.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-N-ethyl-N-phenylbenzamide
CID 17229977
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
3-butan-2-yloxy-N-[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 43878417
4-(difluoromethoxy)-N-ethyl-N-phenylbenzamide
CID 78793978
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
CID 119298184
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
3-[(4-ethoxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17221972
4-benzamido-N-butyl-N-phenylbenzamide
CID 17153379

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide (CID 17229697) is 4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide is CCC(C)Oc1ccc(C(=O)Nc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is WDXKUMXKRJHTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-4-19(3)31-24-17-13-20(14-18-24)25(29)27-22-15-11-21(12-16-22)26(30)28(5-2)23-9-7-6-8-10-23/h6-19H,4-5H2,1-3H3,(H,27,29).
What are the key properties of 4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide?
4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 416.52 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butan-2-yloxybenzoyl)amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 17229697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).