N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide

C20H21N5O3 — CID 1463735

IUPACN-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1-c1nnn(CC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C20H21N5O3/c1-3-6-19(27)21-17-8-5-4-7-16(17)20-22-24-25(23-20)13-18(26)14-9-11-15(28-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,27)
InChIKeyXDTYOKIXOAOWGN-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.97
Rot. Bonds8

About N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide

N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide (PubChem CID 1463735) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide
PubChem CID1463735
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1-c1nnn(CC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C20H21N5O3/c1-3-6-19(27)21-17-8-5-4-7-16(17)20-22-24-25(23-20)13-18(26)14-9-11-15(28-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,27)
InChIKeyXDTYOKIXOAOWGN-UHFFFAOYSA-N
XLogP2.97
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
N-(4-methoxyphenyl)-2-[5-[2-[(2-phenoxyacetyl)amino]phenyl]tetrazol-2-yl]acetamide
CID 1463830
N-[4-[2-(5-phenyltetrazol-2-yl)acetyl]phenyl]butanamide
CID 51173918
4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3229791
N-(2-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 1463756
4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463770
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463834
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2127162
1-(4-methoxyphenyl)-2-(5-trimethylsilyltetrazol-2-yl)ethanone
CID 12824904
N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 3192836
N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide
CID 1463772
N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide
CID 43813163

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide?
The IUPAC name of N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide (CID 1463735) is N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide.
What is the SMILES notation for N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide?
The canonical SMILES for N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide is CCCC(=O)Nc1ccccc1-c1nnn(CC(=O)c2ccc(OC)cc2)n1.
What is the InChIKey of N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide?
The InChIKey is XDTYOKIXOAOWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-3-6-19(27)21-17-8-5-4-7-16(17)20-22-24-25(23-20)13-18(26)14-9-11-15(28-2)12-10-14/h4-5,7-12H,3,6,13H2,1-2H3,(H,21,27).
What are the key properties of N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide?
N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide has a molecular weight of 379.42 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide is sourced from PubChem (CID 1463735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).