1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide

C15H18N2O2 — CID 115181583

IUPAC1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1c(C)cc(C)cc1CNC(=O)C1(C#N)CC1
InChIInChI=1S/C15H18N2O2/c1-10-6-11(2)13(19-3)12(7-10)8-17-14(18)15(9-16)4-5-15/h6-7H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyURJUSXOFXWYCEZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.23
Rot. Bonds4

About 1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide

1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 115181583) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID115181583
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1c(C)cc(C)cc1CNC(=O)C1(C#N)CC1
InChIInChI=1S/C15H18N2O2/c1-10-6-11(2)13(19-3)12(7-10)8-17-14(18)15(9-16)4-5-15/h6-7H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyURJUSXOFXWYCEZ-UHFFFAOYSA-N
XLogP2.23
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115181609
1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115182693
1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide
CID 47162656
(2-methoxy-3,5-dimethylphenyl)methylcarbamothioic S-acid
CID 115169975
1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181683
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
1-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-2-one
CID 115234729
1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189955
(E)-4-[(2-methoxy-3,5-dimethylphenyl)methylamino]-4-oxobut-2-enoic acid
CID 115177212
1-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 80598871
4-methoxy-N-[(2-methoxy-3,5-dimethylphenyl)methyl]benzamide
CID 110782841
N-[(5-bromo-2-methylphenyl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 115183329

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide (CID 115181583) is 1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide is COc1c(C)cc(C)cc1CNC(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is URJUSXOFXWYCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-6-11(2)13(19-3)12(7-10)8-17-14(18)15(9-16)4-5-15/h6-7H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide?
1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115181583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).