1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide

C15H15N3O2 — CID 141319599

IUPAC1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)(C#N)NC(=O)C2(C#N)CC2)cc1
InChIInChI=1S/C15H15N3O2/c1-14(9-16,11-3-5-12(20-2)6-4-11)18-13(19)15(10-17)7-8-15/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyKVAOIXYNRSVCNI-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.85
Rot. Bonds4

About 1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide

1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 141319599) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID141319599
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C(C)(C#N)NC(=O)C2(C#N)CC2)cc1
InChIInChI=1S/C15H15N3O2/c1-14(9-16,11-3-5-12(20-2)6-4-11)18-13(19)15(10-17)7-8-15/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyKVAOIXYNRSVCNI-UHFFFAOYSA-N
XLogP1.85
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide
CID 141319600
2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide
CID 139676098
(4-methoxyphenyl)methyl N-(1-cyano-1-phenylethyl)carbamate
CID 57179451
1-(4-methoxybenzoyl)cyclobutane-1-carbonitrile
CID 116921475
1-(5-tert-butyl-2-methoxybenzoyl)cyclopropane-1-carbonitrile
CID 116920810
N-[1-(4-chlorophenyl)-1-iodoethyl]-4-cyanopiperidine-4-carboxamide
CID 68730644
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
2-amino-2-(4-methoxyphenyl)propanenitrile
CID 16787695
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
1-(2,4,6-trimethoxybenzoyl)cyclopropane-1-carbonitrile
CID 116920867
2-dimethoxyphosphoryl-2-hydroxy-2-(4-methoxyphenyl)acetonitrile
CID 102306314
1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 47117713

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (CID 141319599) is 1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is COc1ccc(C(C)(C#N)NC(=O)C2(C#N)CC2)cc1.
What is the InChIKey of 1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is KVAOIXYNRSVCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-14(9-16,11-3-5-12(20-2)6-4-11)18-13(19)15(10-17)7-8-15/h3-6H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-cyano-1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 141319599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).