N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide

C17H24N6O2 — CID 95303165

IUPACN-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H24N6O2/c1-21(2)8-9-22(12-16-7-4-10-25-16)17(24)14-5-3-6-15(11-14)23-13-18-19-20-23/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3/t16-/m1/s1
InChIKeyFUFKYMDZOKEVHU-MRXNPFEDSA-N
MW344.42 g/mol
LogP0.85
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide

N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 95303165) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide
PubChem CID95303165
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H24N6O2/c1-21(2)8-9-22(12-16-7-4-10-25-16)17(24)14-5-3-6-15(11-14)23-13-18-19-20-23/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3/t16-/m1/s1
InChIKeyFUFKYMDZOKEVHU-MRXNPFEDSA-N
XLogP0.85
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 72926752
N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide
CID 78785165
N-[2-(dimethylamino)ethyl]-3-(1-ethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125167209
N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74236420
N-[2-(dimethylamino)ethyl]-3-(3-methyl-4-pyridinyl)-N-(oxolan-2-ylmethyl)benzamide
CID 119062082
3-(5-aminopyrazin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126438198
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(6-oxo-1H-pyridin-2-yl)benzamide
CID 126450263
3-methyl-N-(oxolan-2-ylmethyl)-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 55735949
N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 86854844
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 97456837
[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 9463055

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide (CID 95303165) is N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide is CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is FUFKYMDZOKEVHU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21(2)8-9-22(12-16-7-4-10-25-16)17(24)14-5-3-6-15(11-14)23-13-18-19-20-23/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide?
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 344.42 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 95303165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).