N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide

C22H24N6O3 — CID 1256899

IUPACN-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)C2(NC(=O)c3ccc(-n4cnnn4)cc3)CCCCC2)cc1
InChIInChI=1S/C22H24N6O3/c1-31-19-11-7-17(8-12-19)24-21(30)22(13-3-2-4-14-22)25-20(29)16-5-9-18(10-6-16)28-15-23-26-27-28/h5-12,15H,2-4,13-14H2,1H3,(H,24,30)(H,25,29)
InChIKeyVVXYVZHKICZAEJ-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.74
Rot. Bonds6

About N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide

N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 1256899) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide
PubChem CID1256899
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(NC(=O)C2(NC(=O)c3ccc(-n4cnnn4)cc3)CCCCC2)cc1
InChIInChI=1S/C22H24N6O3/c1-31-19-11-7-17(8-12-19)24-21(30)22(13-3-2-4-14-22)25-20(29)16-5-9-18(10-6-16)28-15-23-26-27-28/h5-12,15H,2-4,13-14H2,1H3,(H,24,30)(H,25,29)
InChIKeyVVXYVZHKICZAEJ-UHFFFAOYSA-N
XLogP2.74
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65452192
N-(1-carbamothioylcyclohexyl)-4-methoxybenzamide
CID 61121119
[4-(tetrazol-1-yl)phenyl] 4-methoxybenzoate
CID 20896810
1-formamido-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 15065034
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233
3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
CID 64892992
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 26728537
1-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120515028
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide (CID 1256899) is N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide is COc1ccc(NC(=O)C2(NC(=O)c3ccc(-n4cnnn4)cc3)CCCCC2)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is VVXYVZHKICZAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-31-19-11-7-17(8-12-19)24-21(30)22(13-3-2-4-14-22)25-20(29)16-5-9-18(10-6-16)28-15-23-26-27-28/h5-12,15H,2-4,13-14H2,1H3,(H,24,30)(H,25,29).
What are the key properties of N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide?
N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 420.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)carbamoyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 1256899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).