N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide

C13H17NO3 — CID 47161024

IUPACN-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CNC(=O)C2CC2)c(OC)c1
InChIInChI=1S/C13H17NO3/c1-16-11-6-5-10(12(7-11)17-2)8-14-13(15)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyVAELMWIGDNYEHB-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.73
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide

N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide (PubChem CID 47161024) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
PubChem CID47161024
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CNC(=O)C2CC2)c(OC)c1
InChIInChI=1S/C13H17NO3/c1-16-11-6-5-10(12(7-11)17-2)8-14-13(15)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyVAELMWIGDNYEHB-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329
N-[(2,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55577918
(2,4-dimethoxyphenyl)methylurea
CID 53362457
1-cycloheptyl-N-[(2,4-dimethoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45185889
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46586700
N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide
CID 3708169
N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
CID 118754590
N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide
CID 63363227
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide (CID 47161024) is N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide is COc1ccc(CNC(=O)C2CC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is VAELMWIGDNYEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-11-6-5-10(12(7-11)17-2)8-14-13(15)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide?
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide has a molecular weight of 235.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 47161024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).