N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide

C16H22N4O2 — CID 7442853

IUPACN-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn([C@H](C)c2ccc(C)cc2)nn1
InChIInChI=1S/C16H22N4O2/c1-12-5-7-14(8-6-12)13(2)20-11-15(18-19-20)16(21)17-9-4-10-22-3/h5-8,11,13H,4,9-10H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyICRHCBZTTGSKIA-CYBMUJFWSA-N
MW302.38 g/mol
LogP1.96
Rot. Bonds7

About N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide

N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide (PubChem CID 7442853) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide
PubChem CID7442853
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn([C@H](C)c2ccc(C)cc2)nn1
InChIInChI=1S/C16H22N4O2/c1-12-5-7-14(8-6-12)13(2)20-11-15(18-19-20)16(21)17-9-4-10-22-3/h5-8,11,13H,4,9-10H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyICRHCBZTTGSKIA-CYBMUJFWSA-N
XLogP1.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 6483908
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 7443262
N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 7443313
N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797314
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109324112
N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119405590
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799
N-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
CID 66194740

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide (CID 7442853) is N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide is COCCCNC(=O)c1cn([C@H](C)c2ccc(C)cc2)nn1.
What is the InChIKey of N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide?
The InChIKey is ICRHCBZTTGSKIA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-5-7-14(8-6-12)13(2)20-11-15(18-19-20)16(21)17-9-4-10-22-3/h5-8,11,13H,4,9-10H2,1-3H3,(H,17,21)/t13-/m1/s1.
What are the key properties of N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide?
N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 7442853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).