N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

C19H20N4O2 — CID 110020225

IUPACN-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(-c2ccc(C(=O)N(CCO)Cc3ccccc3)cc2)n1
InChIInChI=1S/C19H20N4O2/c1-22-14-20-18(21-22)16-7-9-17(10-8-16)19(25)23(11-12-24)13-15-5-3-2-4-6-15/h2-10,14,24H,11-13H2,1H3
InChIKeyCGUGRJHRRMQKHP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.12
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 110020225) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID110020225
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(-c2ccc(C(=O)N(CCO)Cc3ccccc3)cc2)n1
InChIInChI=1S/C19H20N4O2/c1-22-14-20-18(21-22)16-7-9-17(10-8-16)19(25)23(11-12-24)13-15-5-3-2-4-6-15/h2-10,14,24H,11-13H2,1H3
InChIKeyCGUGRJHRRMQKHP-UHFFFAOYSA-N
XLogP2.12
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021729
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
4-(acetamidomethyl)-N-benzyl-N-(2-hydroxyethyl)benzamide
CID 110880403
N-benzyl-3,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 103955560
N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide
CID 167894254
N-benzyl-N-(2-hydroxyethyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70706926
N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 110886459
N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 78839583
N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796020
N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565388
1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide
CID 74247387
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 110886514

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (CID 110020225) is N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is Cn1cnc(-c2ccc(C(=O)N(CCO)Cc3ccccc3)cc2)n1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is CGUGRJHRRMQKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22-14-20-18(21-22)16-7-9-17(10-8-16)19(25)23(11-12-24)13-15-5-3-2-4-6-15/h2-10,14,24H,11-13H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 110020225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).