N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide

C19H22N4O — CID 17219836

IUPACN-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2nn(-c3ccc(CC)cc3)nc2c1
InChIInChI=1S/C19H22N4O/c1-3-5-6-19(24)20-15-9-12-17-18(13-15)22-23(21-17)16-10-7-14(4-2)8-11-16/h7-13H,3-6H2,1-2H3,(H,20,24)
InChIKeyKJSRCZPAWOQJQZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.11
Rot. Bonds6

About N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide

N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide (PubChem CID 17219836) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide
PubChem CID17219836
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc2nn(-c3ccc(CC)cc3)nc2c1
InChIInChI=1S/C19H22N4O/c1-3-5-6-19(24)20-15-9-12-17-18(13-15)22-23(21-17)16-10-7-14(4-2)8-11-16/h7-13H,3-6H2,1-2H3,(H,20,24)
InChIKeyKJSRCZPAWOQJQZ-UHFFFAOYSA-N
XLogP4.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylbenzotriazol-5-yl)pentanamide
CID 17219676
N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-chlorobutanamide
CID 4512212
4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 17101782
3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
CID 1333527
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 17219884
N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide
CID 1340943
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 1329870
N-[2-(4-butylphenyl)benzotriazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318936
2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide
CID 23094976
2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
CID 141419786
3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide
CID 807150
3,5-dichloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-methoxybenzamide
CID 17111009

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide?
The IUPAC name of N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide (CID 17219836) is N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide?
The canonical SMILES for N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide is CCCCC(=O)Nc1ccc2nn(-c3ccc(CC)cc3)nc2c1.
What is the InChIKey of N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide?
The InChIKey is KJSRCZPAWOQJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-5-6-19(24)20-15-9-12-17-18(13-15)22-23(21-17)16-10-7-14(4-2)8-11-16/h7-13H,3-6H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide?
N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide has a molecular weight of 322.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide is sourced from PubChem (CID 17219836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).