N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide

C18H22N6O2 — CID 51126901

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(-n2cnnn2)c1)c1ccco1
InChIInChI=1S/C18H22N6O2/c1-3-23(4-2)16(17-9-6-10-26-17)12-19-18(25)14-7-5-8-15(11-14)24-13-20-21-22-24/h5-11,13,16H,3-4,12H2,1-2H3,(H,19,25)
InChIKeyMQCDVUXIBVYCOK-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.07
Rot. Bonds8

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 51126901) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID51126901
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(-n2cnnn2)c1)c1ccco1
InChIInChI=1S/C18H22N6O2/c1-3-23(4-2)16(17-9-6-10-26-17)12-19-18(25)14-7-5-8-15(11-14)24-13-20-21-22-24/h5-11,13,16H,3-4,12H2,1-2H3,(H,19,25)
InChIKeyMQCDVUXIBVYCOK-UHFFFAOYSA-N
XLogP2.07
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 43072487
N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120653140
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 97261444
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[[(4-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 75401494
N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125178998
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 51127257
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide (CID 51126901) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide is CCN(CC)C(CNC(=O)c1cccc(-n2cnnn2)c1)c1ccco1.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is MQCDVUXIBVYCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-3-23(4-2)16(17-9-6-10-26-17)12-19-18(25)14-7-5-8-15(11-14)24-13-20-21-22-24/h5-11,13,16H,3-4,12H2,1-2H3,(H,19,25).
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51126901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).