N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide

C17H24N6O — CID 110279154

IUPACN-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide
SMILESCN(C)CC1CCCCC1NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H24N6O/c1-22(2)11-14-5-3-4-6-16(14)19-17(24)13-7-9-15(10-8-13)23-12-18-20-21-23/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,19,24)
InChIKeyGXOGPNOBAOVCMH-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.51
Rot. Bonds5

About N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide

N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 110279154) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide
PubChem CID110279154
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide
SMILESCN(C)CC1CCCCC1NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H24N6O/c1-22(2)11-14-5-3-4-6-16(14)19-17(24)13-7-9-15(10-8-13)23-12-18-20-21-23/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,19,24)
InChIKeyGXOGPNOBAOVCMH-UHFFFAOYSA-N
XLogP1.51
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119603577
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide
CID 110279273
N-[2-[(dimethylamino)methyl]cyclohexyl]naphthalene-2-carboxamide
CID 110279247
N-(3-methylcyclopentyl)-4-(tetrazol-1-yl)benzamide
CID 114550130
N-piperidin-4-yl-4-(tetrazol-1-yl)benzamide
CID 43603117
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
methyl (3S)-3-[[4-(tetrazol-1-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 95777987
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(tetrazol-1-yl)benzamide
CID 119457998
N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide
CID 110279269
N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(tetrazol-1-yl)benzamide
CID 580173
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide (CID 110279154) is N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide is CN(C)CC1CCCCC1NC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is GXOGPNOBAOVCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-22(2)11-14-5-3-4-6-16(14)19-17(24)13-7-9-15(10-8-13)23-12-18-20-21-23/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,19,24).
What are the key properties of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide?
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 328.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]cyclohexyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 110279154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).