N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide

C19H29N5O3 — CID 119640067

IUPACN-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1nn(-c2ccc(OCCOC)cc2)nc1C
InChIInChI=1S/C19H29N5O3/c1-5-19(20,6-2)13-21-18(25)17-14(3)22-24(23-17)15-7-9-16(10-8-15)27-12-11-26-4/h7-10H,5-6,11-13,20H2,1-4H3,(H,21,25)
InChIKeyUKBVQOPWHJXWBO-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.85
Rot. Bonds10

About N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide

N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide (PubChem CID 119640067) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide
PubChem CID119640067
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC NameN-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1nn(-c2ccc(OCCOC)cc2)nc1C
InChIInChI=1S/C19H29N5O3/c1-5-19(20,6-2)13-21-18(25)17-14(3)22-24(23-17)15-7-9-16(10-8-15)27-12-11-26-4/h7-10H,5-6,11-13,20H2,1-4H3,(H,21,25)
InChIKeyUKBVQOPWHJXWBO-UHFFFAOYSA-N
XLogP1.85
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
CID 54858922
2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119445229
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]methanone;hydrochloride
CID 120655467
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
CID 119640769
2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119441481
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]methanone
CID 122147772
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
CID 119640920
1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855488
N-(2-amino-2-ethylbutyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119639837
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide (CID 119640067) is N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide is CCC(N)(CC)CNC(=O)c1nn(-c2ccc(OCCOC)cc2)nc1C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide?
The InChIKey is UKBVQOPWHJXWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-5-19(20,6-2)13-21-18(25)17-14(3)22-24(23-17)15-7-9-16(10-8-15)27-12-11-26-4/h7-10H,5-6,11-13,20H2,1-4H3,(H,21,25).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide?
N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 1.85, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 119640067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).