N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide

C22H25N5O4 — CID 26349069

IUPACN-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide
SMILESCOc1ccc(C(=O)NCCn2cc(C(=O)N(C)Cc3ccccc3)nn2)c(OC)c1
InChIInChI=1S/C22H25N5O4/c1-26(14-16-7-5-4-6-8-16)22(29)19-15-27(25-24-19)12-11-23-21(28)18-10-9-17(30-2)13-20(18)31-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,28)
InChIKeyLZJJBOWOGUPMJO-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.00
Rot. Bonds9

About N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide

N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide (PubChem CID 26349069) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide
PubChem CID26349069
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide
SMILESCOc1ccc(C(=O)NCCn2cc(C(=O)N(C)Cc3ccccc3)nn2)c(OC)c1
InChIInChI=1S/C22H25N5O4/c1-26(14-16-7-5-4-6-8-16)22(29)19-15-27(25-24-19)12-11-23-21(28)18-10-9-17(30-2)13-20(18)31-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,28)
InChIKeyLZJJBOWOGUPMJO-UHFFFAOYSA-N
XLogP2.00
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 19282928
N-[2-[benzyl(ethyl)sulfamoyl]ethyl]-2,4-dimethoxybenzamide
CID 7618507
1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 134003826
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 47069219
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18115021
1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 18152841
N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 55512888
5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide
CID 146152132

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide (CID 26349069) is N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide is COc1ccc(C(=O)NCCn2cc(C(=O)N(C)Cc3ccccc3)nn2)c(OC)c1.
What is the InChIKey of N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide?
The InChIKey is LZJJBOWOGUPMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-26(14-16-7-5-4-6-8-16)22(29)19-15-27(25-24-19)12-11-23-21(28)18-10-9-17(30-2)13-20(18)31-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,28).
What are the key properties of N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide?
N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 26349069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).