N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide

C15H19N5O4 — CID 50971628

IUPACN-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NC(C)c2ncn[nH]2)c(OC)c1
InChIInChI=1S/C15H19N5O4/c1-9(15-16-8-17-20-15)18-13(21)7-14(22)19-11-5-4-10(23-2)6-12(11)24-3/h4-6,8-9H,7H2,1-3H3,(H,18,21)(H,19,22)(H,16,17,20)
InChIKeyQMOMHKDNKBPYMK-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.03
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide

N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide (PubChem CID 50971628) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide
PubChem CID50971628
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC NameN-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NC(C)c2ncn[nH]2)c(OC)c1
InChIInChI=1S/C15H19N5O4/c1-9(15-16-8-17-20-15)18-13(21)7-14(22)19-11-5-4-10(23-2)6-12(11)24-3/h4-6,8-9H,7H2,1-3H3,(H,18,21)(H,19,22)(H,16,17,20)
InChIKeyQMOMHKDNKBPYMK-UHFFFAOYSA-N
XLogP1.03
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 23908681
1-(2-methoxyphenyl)-3-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 97158674
3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103716323
N-[(2,4-dimethoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103886550
N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide
CID 141249882
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
2,5-dimethoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943250
N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide
CID 72847750
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanamide
CID 110297262
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
N-(2,4-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663376
N'-butan-2-yl-N-(2,5-dimethoxyphenyl)propanediamide
CID 108941866

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide (CID 50971628) is N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide is COc1ccc(NC(=O)CC(=O)NC(C)c2ncn[nH]2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide?
The InChIKey is QMOMHKDNKBPYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-9(15-16-8-17-20-15)18-13(21)7-14(22)19-11-5-4-10(23-2)6-12(11)24-3/h4-6,8-9H,7H2,1-3H3,(H,18,21)(H,19,22)(H,16,17,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide?
N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide has a molecular weight of 333.35 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide is sourced from PubChem (CID 50971628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).