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

C18H24N4O2 — CID 118769650

IUPAC1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCCn3ccnn3)CC2(C)C)cc1
InChIInChI=1S/C18H24N4O2/c1-17(2)13-18(17,14-5-7-15(24-3)8-6-14)16(23)19-9-4-11-22-12-10-20-21-22/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,19,23)
InChIKeyGWSIZCODWSDXEJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.16
Rot. Bonds7

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

1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 118769650) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
PubChem CID118769650
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCCn3ccnn3)CC2(C)C)cc1
InChIInChI=1S/C18H24N4O2/c1-17(2)13-18(17,14-5-7-15(24-3)8-6-14)16(23)19-9-4-11-22-12-10-20-21-22/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,19,23)
InChIKeyGWSIZCODWSDXEJ-UHFFFAOYSA-N
XLogP2.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.16
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

2-[[[2-(4-methoxyphenyl)ethylamino]-[3-(triazol-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036707
(1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 125161826
2,6-dimethoxy-N-[3-(triazol-1-yl)propyl]pyridine-3-carboxamide
CID 91768013
1-(4-methylsulfonylphenyl)-N-[3-(triazol-1-yl)propyl]cyclobutane-1-carboxamide
CID 91768534
(3S)-7-methoxy-N-[3-(triazol-1-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97134116
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 119073158
(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-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 72845833
(1S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 99927183
1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide
CID 135109599
3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide
CID 106113671
(1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 125171632

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide (CID 118769650) is 1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)NCCCn3ccnn3)CC2(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is GWSIZCODWSDXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-17(2)13-18(17,14-5-7-15(24-3)8-6-14)16(23)19-9-4-11-22-12-10-20-21-22/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,19,23).
What are the key properties of 1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide?
1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 118769650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).