N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide

C19H21N5O2 — CID 56859401

IUPACN-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCCN(CCO)C(=O)c1cc(-c2ccccc2C)cc(-n2cnnn2)c1
InChIInChI=1S/C19H21N5O2/c1-3-23(8-9-25)19(26)16-10-15(18-7-5-4-6-14(18)2)11-17(12-16)24-13-20-21-22-24/h4-7,10-13,25H,3,8-9H2,1-2H3
InChIKeyKJQMBHKIGWZWGE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.09
Rot. Bonds6

About N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide

N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 56859401) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide
PubChem CID56859401
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCCN(CCO)C(=O)c1cc(-c2ccccc2C)cc(-n2cnnn2)c1
InChIInChI=1S/C19H21N5O2/c1-3-23(8-9-25)19(26)16-10-15(18-7-5-4-6-14(18)2)11-17(12-16)24-13-20-21-22-24/h4-7,10-13,25H,3,8-9H2,1-2H3
InChIKeyKJQMBHKIGWZWGE-UHFFFAOYSA-N
XLogP2.09
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide
CID 42540851
N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 42421765
N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide
CID 78785165
N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42500060
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252796
3-(4-methoxy-2-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316601
N-ethyl-4-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-hydroxyethyl)benzamide
CID 109468449
3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide
CID 26347123
N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide
CID 109468089
N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-methoxyphenyl)-N-methyl-5-(tetrazol-1-yl)benzamide
CID 42248350
N-benzyl-N-methyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 25327818
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide (CID 56859401) is N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide is CCN(CCO)C(=O)c1cc(-c2ccccc2C)cc(-n2cnnn2)c1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is KJQMBHKIGWZWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-23(8-9-25)19(26)16-10-15(18-7-5-4-6-14(18)2)11-17(12-16)24-13-20-21-22-24/h4-7,10-13,25H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide?
N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 56859401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).