N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide

C19H22N4O2 — CID 30873001

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2ccc3c(c2)nnn3CC)cc1
InChIInChI=1S/C19H22N4O2/c1-3-23-18-10-9-16(11-17(18)21-22-23)19(24)20-12-14-5-7-15(8-6-14)13-25-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,20,24)
InChIKeyHKEFZRQFNZKGJX-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.92
Rot. Bonds7

About N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide

N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide (PubChem CID 30873001) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide
PubChem CID30873001
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2ccc3c(c2)nnn3CC)cc1
InChIInChI=1S/C19H22N4O2/c1-3-23-18-10-9-16(11-17(18)21-22-23)19(24)20-12-14-5-7-15(8-6-14)13-25-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,20,24)
InChIKeyHKEFZRQFNZKGJX-UHFFFAOYSA-N
XLogP2.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(3-phenoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 39021866
N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide
CID 30832500
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 26775714
1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide
CID 111115972
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254
1-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111176
N-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111468
1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
CID 65031697
1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
CID 103918979
N-(2,2-difluoro-3-hydroxypropyl)-1-ethylbenzotriazole-5-carboxamide
CID 104857209

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide (CID 30873001) is N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide is CCOCc1ccc(CNC(=O)c2ccc3c(c2)nnn3CC)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is HKEFZRQFNZKGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-23-18-10-9-16(11-17(18)21-22-23)19(24)20-12-14-5-7-15(8-6-14)13-25-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,20,24).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 30873001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).