1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide

C19H19N5O2 — CID 18155904

IUPAC1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C19H19N5O2/c1-3-11-20-19(26)14-7-5-6-8-15(14)21-18(25)13-9-10-17-16(12-13)22-23-24(17)4-2/h3,5-10,12H,1,4,11H2,2H3,(H,20,26)(H,21,25)
InChIKeySDBIPWSJZPCEBZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.62
Rot. Bonds6

About 1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide

1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide (PubChem CID 18155904) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide
PubChem CID18155904
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C19H19N5O2/c1-3-11-20-19(26)14-7-5-6-8-15(14)21-18(25)13-9-10-17-16(12-13)22-23-24(17)4-2/h3,5-10,12H,1,4,11H2,2H3,(H,20,26)(H,21,25)
InChIKeySDBIPWSJZPCEBZ-UHFFFAOYSA-N
XLogP2.62
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996053
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996052
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide
CID 41369673
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051719
6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 18158456

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide (CID 18155904) is 1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)nnn2CC.
What is the InChIKey of 1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide?
The InChIKey is SDBIPWSJZPCEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-3-11-20-19(26)14-7-5-6-8-15(14)21-18(25)13-9-10-17-16(12-13)22-23-24(17)4-2/h3,5-10,12H,1,4,11H2,2H3,(H,20,26)(H,21,25).
What are the key properties of 1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide?
1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 18155904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).