(1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide

C18H24N4O2 — CID 125161826

IUPAC(1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc([C@]2(C(=O)NCCc3ncnn3C)CC2(C)C)cc1
InChIInChI=1S/C18H24N4O2/c1-17(2)11-18(17,13-5-7-14(24-4)8-6-13)16(23)19-10-9-15-20-12-21-22(15)3/h5-8,12H,9-11H2,1-4H3,(H,19,23)/t18-/m0/s1
InChIKeyJSROWZDXYJCLEX-SFHVURJKSA-N
MW328.42 g/mol
LogP1.85
Rot. Bonds6

About (1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide

(1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 125161826) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID125161826
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc([C@]2(C(=O)NCCc3ncnn3C)CC2(C)C)cc1
InChIInChI=1S/C18H24N4O2/c1-17(2)11-18(17,13-5-7-14(24-4)8-6-13)16(23)19-10-9-15-20-12-21-22(15)3/h5-8,12H,9-11H2,1-4H3,(H,19,23)/t18-/m0/s1
InChIKeyJSROWZDXYJCLEX-SFHVURJKSA-N
XLogP1.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 125441546
1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 118769650
(1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 125171632
(1S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 99927183
N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 77087240
4-methoxy-N-[2-[[N'-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111705447
4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 119063006
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 72845833
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75478004
N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167780706

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide (CID 125161826) is (1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide is COc1ccc([C@]2(C(=O)NCCc3ncnn3C)CC2(C)C)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is JSROWZDXYJCLEX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-17(2)11-18(17,13-5-7-14(24-4)8-6-13)16(23)19-10-9-15-20-12-21-22(15)3/h5-8,12H,9-11H2,1-4H3,(H,19,23)/t18-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide?
(1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 125161826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).