4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

C27H28N6O3 — CID 1463770

IUPAC4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C27H28N6O3/c1-27(2,3)19-15-13-18(14-16-19)26(35)29-21-10-6-5-9-20(21)25-30-32-33(31-25)17-24(34)28-22-11-7-8-12-23(22)36-4/h5-16H,17H2,1-4H3,(H,28,34)(H,29,35)
InChIKeyHAFDIHQEZJUZNL-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.54
Rot. Bonds7

About 4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 1463770) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID1463770
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C27H28N6O3/c1-27(2,3)19-15-13-18(14-16-19)26(35)29-21-10-6-5-9-20(21)25-30-32-33(31-25)17-24(34)28-22-11-7-8-12-23(22)36-4/h5-16H,17H2,1-4H3,(H,28,34)(H,29,35)
InChIKeyHAFDIHQEZJUZNL-UHFFFAOYSA-N
XLogP4.54
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide
CID 1463772
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451
4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
4-tert-butyl-N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3192792
N-(2-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 1463756
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3229791
4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
CID 118737180
N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide
CID 1463735
N-(4-methoxyphenyl)-2-[5-[2-[(2-phenoxyacetyl)amino]phenyl]tetrazol-2-yl]acetamide
CID 1463830
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463834

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (CID 1463770) is 4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is HAFDIHQEZJUZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-27(2,3)19-15-13-18(14-16-19)26(35)29-21-10-6-5-9-20(21)25-30-32-33(31-25)17-24(34)28-22-11-7-8-12-23(22)36-4/h5-16H,17H2,1-4H3,(H,28,34)(H,29,35).
What are the key properties of 4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 484.56 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 1463770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).