1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide

C15H18N2O2 — CID 115181609

IUPAC1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1c(C)cc(CNC(=O)C2(C#N)CC2)cc1C
InChIInChI=1S/C15H18N2O2/c1-10-6-12(7-11(2)13(10)19-3)8-17-14(18)15(9-16)4-5-15/h6-7H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyPBXAEPDWWPOSPK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.23
Rot. Bonds4

About 1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide

1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 115181609) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID115181609
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1c(C)cc(CNC(=O)C2(C#N)CC2)cc1C
InChIInChI=1S/C15H18N2O2/c1-10-6-12(7-11(2)13(10)19-3)8-17-14(18)15(9-16)4-5-15/h6-7H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyPBXAEPDWWPOSPK-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

Analyze 1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115181583
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
CID 115169183
1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide
CID 106899829
1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 47117713
3-cyano-N-[(3,4-dimethylphenyl)methyl]oxetane-3-carboxamide
CID 115184692
3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide
CID 115139094
1-cyano-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80598717
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyanocyclopropane-1-carboxamide
CID 80591814
1-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242966
1-cyano-N-[2-(2,4,6-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181683
1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide
CID 47162656
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide (CID 115181609) is 1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide is COc1c(C)cc(CNC(=O)C2(C#N)CC2)cc1C.
What is the InChIKey of 1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is PBXAEPDWWPOSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-6-12(7-11(2)13(10)19-3)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-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide?
1-cyano-N-[(4-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-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115181609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).