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

C23H25N5O3 — CID 1463733

IUPACN-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C3CCCCC3)n2)cc1
InChIInChI=1S/C23H25N5O3/c1-31-18-13-11-16(12-14-18)21(29)15-28-26-22(25-27-28)19-9-5-6-10-20(19)24-23(30)17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,30)
InChIKeyDSIDZIHSTXWRJQ-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.75
Rot. Bonds7

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

N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide (PubChem CID 1463733) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide
PubChem CID1463733
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide
SMILESCOc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C3CCCCC3)n2)cc1
InChIInChI=1S/C23H25N5O3/c1-31-18-13-11-16(12-14-18)21(29)15-28-26-22(25-27-28)19-9-5-6-10-20(19)24-23(30)17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,30)
InChIKeyDSIDZIHSTXWRJQ-UHFFFAOYSA-N
XLogP3.75
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Furan-2-carboxylic acid (2-{2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 656033
N-[2-(2-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-4-methoxy-benzamide
CID 644789
3-{2-[5-(4-Propoxy-phenyl)-tetrazol-2-yl]-acetylamino}-benzoic acid methyl ester
CID 645014
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 645244
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-3,4,5-trimethoxy-benzamide
CID 646773
N-(2-{2-[(4-Methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 646949
methyl 2-({[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]acetyl}amino)benzoate
CID 1128375
Cyclohexanecarboxylic acid (4-{2-[(4-methoxy-benzylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 1452551
2,2,2-Trifluoro-N-(2-{2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-acetamide
CID 1463734
N-[2-(2-Carbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-4-methoxy-benzamide
CID 1463747
4-methoxy-N-[2-(2H-tetrazol-5-yl)phenyl]benzamide
CID 45489602
N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-nitrobenzamide
CID 118737168

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide (CID 1463733) is N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide is COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C3CCCCC3)n2)cc1.
What is the InChIKey of N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is DSIDZIHSTXWRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-31-18-13-11-16(12-14-18)21(29)15-28-26-22(25-27-28)19-9-5-6-10-20(19)24-23(30)17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,30).
What are the key properties of N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide?
N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.75, 7 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]cyclohexanecarboxamide is sourced from PubChem (CID 1463733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).