[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate

C25H22N6O4 — CID 29387354

IUPAC[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C25H22N6O4/c1-17-6-8-18(9-7-17)14-26-24(33)21-4-2-3-5-22(21)28-23(32)15-35-25(34)19-10-12-20(13-11-19)31-16-27-29-30-31/h2-13,16H,14-15H2,1H3,(H,26,33)(H,28,32)
InChIKeyDPRKJSOAWCHYIU-UHFFFAOYSA-N
MW470.49 g/mol
LogP2.70
Rot. Bonds8

About [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate

[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate (PubChem CID 29387354) has the molecular formula C25H22N6O4 and a molecular weight of 470.49 g/mol. Its IUPAC name is [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
PubChem CID29387354
Molecular FormulaC25H22N6O4
Molecular Weight470.49 g/mol
Exact Mass470.17
IUPAC Name[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C25H22N6O4/c1-17-6-8-18(9-7-17)14-26-24(33)21-4-2-3-5-22(21)28-23(32)15-35-25(34)19-10-12-20(13-11-19)31-16-27-29-30-31/h2-13,16H,14-15H2,1H3,(H,26,33)(H,28,32)
InChIKeyDPRKJSOAWCHYIU-UHFFFAOYSA-N
XLogP2.70
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 46511969
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2535996
[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate
CID 9018254
ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 41195072
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 27749348
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 9455525
[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399359
2-[[2-(3-carbamoylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55910870
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665566

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate (CID 29387354) is [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate is Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The InChIKey is DPRKJSOAWCHYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O4/c1-17-6-8-18(9-7-17)14-26-24(33)21-4-2-3-5-22(21)28-23(32)15-35-25(34)19-10-12-20(13-11-19)31-16-27-29-30-31/h2-13,16H,14-15H2,1H3,(H,26,33)(H,28,32).
What are the key properties of [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate has a molecular weight of 470.49 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 29387354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).