N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide

C28H32N4O3 — CID 54834536

IUPACN-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
SMILESCCN(C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)cc1)c1ccccc1
InChIInChI=1S/C28H32N4O3/c1-5-32(24-9-7-6-8-10-24)27(35)21-13-17-23(18-14-21)30-25(33)19-29-22-15-11-20(12-16-22)26(34)31-28(2,3)4/h6-18,29H,5,19H2,1-4H3,(H,30,33)(H,31,34)
InChIKeySVZADYHYILQAJX-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.93
Rot. Bonds8

About N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide

N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54834536) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
PubChem CID54834536
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
SMILESCCN(C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)cc1)c1ccccc1
InChIInChI=1S/C28H32N4O3/c1-5-32(24-9-7-6-8-10-24)27(35)21-13-17-23(18-14-21)30-25(33)19-29-22-15-11-20(12-16-22)26(34)31-28(2,3)4/h6-18,29H,5,19H2,1-4H3,(H,30,33)(H,31,34)
InChIKeySVZADYHYILQAJX-UHFFFAOYSA-N
XLogP4.93
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842807
propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate
CID 54812803
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838383
N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide
CID 54838593
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838181
N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815388

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide (CID 54834536) is N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide is CCN(C(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)cc1)c1ccccc1.
What is the InChIKey of N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is SVZADYHYILQAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-5-32(24-9-7-6-8-10-24)27(35)21-13-17-23(18-14-21)30-25(33)19-29-22-15-11-20(12-16-22)26(34)31-28(2,3)4/h6-18,29H,5,19H2,1-4H3,(H,30,33)(H,31,34).
What are the key properties of N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide?
N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 472.59 g/mol, XLogP of 4.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54834536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).