N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide

C16H21N5O2 — CID 163306992

IUPACN-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide
SMILESCOC1CCC(NC(=O)c2ccc(-c3nnn(C)n3)cc2)CC1
InChIInChI=1S/C16H21N5O2/c1-21-19-15(18-20-21)11-3-5-12(6-4-11)16(22)17-13-7-9-14(23-2)10-8-13/h3-6,13-14H,7-10H2,1-2H3,(H,17,22)
InChIKeyGQCLODQSNYJALT-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.56
Rot. Bonds4

About N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide

N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide (PubChem CID 163306992) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide
PubChem CID163306992
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide
SMILESCOC1CCC(NC(=O)c2ccc(-c3nnn(C)n3)cc2)CC1
InChIInChI=1S/C16H21N5O2/c1-21-19-15(18-20-21)11-3-5-12(6-4-11)16(22)17-13-7-9-14(23-2)10-8-13/h3-6,13-14H,7-10H2,1-2H3,(H,17,22)
InChIKeyGQCLODQSNYJALT-UHFFFAOYSA-N
XLogP1.56
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methyltetrazol-5-yl)-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 118793021
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide
CID 163318125
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid
CID 136556476
ethyl 4-[[4-(2-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 72927518
4-(2-hydroxyethylsulfanyl)-N-(4-methoxycyclohexyl)benzamide
CID 77090043
[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 77089273
4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 59733437
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
N-[4-(2-methyltetrazol-5-yl)phenyl]piperidin-4-amine
CID 58576442
4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide
CID 91771219
4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373646

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide (CID 163306992) is N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide is COC1CCC(NC(=O)c2ccc(-c3nnn(C)n3)cc2)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is GQCLODQSNYJALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-21-19-15(18-20-21)11-3-5-12(6-4-11)16(22)17-13-7-9-14(23-2)10-8-13/h3-6,13-14H,7-10H2,1-2H3,(H,17,22).
What are the key properties of N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide?
N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 315.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-4-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 163306992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).