1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide

C18H24N4O2 — CID 166277791

IUPAC1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide
SMILESCCn1nnc(C(=O)NC2(CCOCc3ccccc3)CC2)c1C
InChIInChI=1S/C18H24N4O2/c1-3-22-14(2)16(20-21-22)17(23)19-18(9-10-18)11-12-24-13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,19,23)
InChIKeyXHHJXXMGSSYBFR-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.48
Rot. Bonds8

About 1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide

1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide (PubChem CID 166277791) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide
PubChem CID166277791
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide
SMILESCCn1nnc(C(=O)NC2(CCOCc3ccccc3)CC2)c1C
InChIInChI=1S/C18H24N4O2/c1-3-22-14(2)16(20-21-22)17(23)19-18(9-10-18)11-12-24-13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,19,23)
InChIKeyXHHJXXMGSSYBFR-UHFFFAOYSA-N
XLogP2.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.48
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

tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate
CID 118177257
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(2-phenylmethoxyethyl)cyclopropyl]propanamide
CID 166417931
benzyl 1-(3-amino-3-oxopropyl)-5-methyltriazole-4-carboxylate
CID 103114532
1-benzyl-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide
CID 42602961
benzyl 1-(2-hydroxyethyl)-5-methyltriazole-4-carboxylate
CID 103114564
dimethyl 1-(phenylmethoxymethyl)triazole-4,5-dicarboxylate
CID 14223190
5-cyclopentyl-1-(2-phenylmethoxyethyl)triazole-4-carboxylic acid
CID 165486533
5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119804034
1-[5-(difluoromethyl)-2-fluorophenyl]-3-[1-(2-phenylmethoxyethyl)cyclopropyl]urea
CID 166240430
5-methyl-N-(2-methyl-3-phenylmethoxypropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119750635
5-benzyl-1-ethyltriazole-4-carboxylic acid
CID 82207159
1-[(4-bromophenyl)methyl]-5-methyl-N-(4-phenylmethoxyphenyl)triazole-4-carboxamide
CID 42602924

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide?
The IUPAC name of 1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide (CID 166277791) is 1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide?
The canonical SMILES for 1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide is CCn1nnc(C(=O)NC2(CCOCc3ccccc3)CC2)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide?
The InChIKey is XHHJXXMGSSYBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-22-14(2)16(20-21-22)17(23)19-18(9-10-18)11-12-24-13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,19,23).
What are the key properties of 1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide?
1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-[1-(2-phenylmethoxyethyl)cyclopropyl]triazole-4-carboxamide is sourced from PubChem (CID 166277791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).