N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide

C22H24N4O — CID 46998527

IUPACN-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCCCCN(C/C=C/c1ccccc1)C(=O)c1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C22H24N4O/c1-2-3-15-26(16-7-10-18-8-5-4-6-9-18)22(27)20-13-11-19(12-14-20)21-23-17-24-25-21/h4-14,17H,2-3,15-16H2,1H3,(H,23,24,25)/b10-7+
InChIKeyGFDRKXJUCHRHIF-JXMROGBWSA-N
MW360.46 g/mol
LogP4.43
Rot. Bonds8

About N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide

N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 46998527) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID46998527
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCCCCN(C/C=C/c1ccccc1)C(=O)c1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C22H24N4O/c1-2-3-15-26(16-7-10-18-8-5-4-6-9-18)22(27)20-13-11-19(12-14-20)21-23-17-24-25-21/h4-14,17H,2-3,15-16H2,1H3,(H,23,24,25)/b10-7+
InChIKeyGFDRKXJUCHRHIF-JXMROGBWSA-N
XLogP4.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 50961931
N-ethyl-2-(methylamino)-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
CID 171134990
N-(2-hydroxyethyl)-3-(1-methylpyrrol-2-yl)-N-(3-phenylprop-2-enyl)-1H-pyrazole-5-carboxamide
CID 91940438
ethyl 4-(1H-1,2,4-triazol-5-yl)benzoate
CID 70278800
1,1-diethyl-3-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea
CID 138047329
4-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-3-phenylprop-2-enyl]amino]butanoic acid
CID 138963735
N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
CID 171134622
N-butyl-N-(2-chloroethyl)benzamide
CID 63390876
N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 42697019
N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide
CID 5272560
3-butyl-1-methyl-4-[4-(1H-1,2,4-triazol-5-yl)benzoyl]piperazin-2-one
CID 70745000

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide (CID 46998527) is N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide is CCCCN(C/C=C/c1ccccc1)C(=O)c1ccc(-c2ncn[nH]2)cc1.
What is the InChIKey of N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is GFDRKXJUCHRHIF-JXMROGBWSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-3-15-26(16-7-10-18-8-5-4-6-9-18)22(27)20-13-11-19(12-14-20)21-23-17-24-25-21/h4-14,17H,2-3,15-16H2,1H3,(H,23,24,25)/b10-7+.
What are the key properties of N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide?
N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(E)-3-phenylprop-2-enyl]-4-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 46998527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).