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

C21H26N6O2 — CID 46545686

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccccc1-n1cnnn1)c1cccc(OC)c1
InChIInChI=1S/C21H26N6O2/c1-4-26(5-2)20(16-9-8-10-17(13-16)29-3)14-22-21(28)18-11-6-7-12-19(18)27-15-23-24-25-27/h6-13,15,20H,4-5,14H2,1-3H3,(H,22,28)
InChIKeyJNKRXZYSIKRPNW-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.48
Rot. Bonds9

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

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 46545686) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
PubChem CID46545686
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccccc1-n1cnnn1)c1cccc(OC)c1
InChIInChI=1S/C21H26N6O2/c1-4-26(5-2)20(16-9-8-10-17(13-16)29-3)14-22-21(28)18-11-6-7-12-19(18)27-15-23-24-25-27/h6-13,15,20H,4-5,14H2,1-3H3,(H,22,28)
InChIKeyJNKRXZYSIKRPNW-UHFFFAOYSA-N
XLogP2.48
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55652048
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 46545764
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 8795965
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008766
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide
CID 119039953
N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 30546325

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide (CID 46545686) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide is CCN(CC)C(CNC(=O)c1ccccc1-n1cnnn1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is JNKRXZYSIKRPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-4-26(5-2)20(16-9-8-10-17(13-16)29-3)14-22-21(28)18-11-6-7-12-19(18)27-15-23-24-25-27/h6-13,15,20H,4-5,14H2,1-3H3,(H,22,28).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 394.48 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 46545686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).