N,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide

C20H27N5O — CID 1151687

IUPACN,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide
SMILESO=C(c1ccc(-n2cnnn2)cc1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H27N5O/c26-20(16-11-13-17(14-12-16)24-15-21-22-23-24)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h11-15,18-19H,1-10H2
InChIKeyGKDQRRUAVIYLIM-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.77
Rot. Bonds4

About N,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide

N,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide (PubChem CID 1151687) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide
PubChem CID1151687
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide
SMILESO=C(c1ccc(-n2cnnn2)cc1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H27N5O/c26-20(16-11-13-17(14-12-16)24-15-21-22-23-24)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h11-15,18-19H,1-10H2
InChIKeyGKDQRRUAVIYLIM-UHFFFAOYSA-N
XLogP3.77
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1H-tetrazol-1-yl)phenyl]ethanone
CID 716433
N-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-bromophenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 856148
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide
CID 6460430
1-(4-Benzoyl-2-methyl-piperazin-1-yl)-2-(4-[1,2,4]triazol-1-yl-phenyl)-ethane-1,2-dione
CID 24994153
1-[4-[2-(4-Nitrophenyl)ethyl]piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 57331240
3-[2-[4-[2-[4-(Tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]benzonitrile
CID 57331268
4-[2-(4-{[4-(1H-tetrazol-1-yl)phenyl]acetyl}piperazin-1-yl)ethyl]benzonitrile
CID 67518221
4-(1H-tetrazol-1-yl)benzohydrazide
CID 2114009
N-[4-methyl-3-(1H-tetraazol-1-yl)phenyl]benzamide
CID 855937

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide (CID 1151687) is N,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide is O=C(c1ccc(-n2cnnn2)cc1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is GKDQRRUAVIYLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-20(16-11-13-17(14-12-16)24-15-21-22-23-24)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h11-15,18-19H,1-10H2.
What are the key properties of N,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide?
N,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 1151687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).