N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide

C13H17NO2 — CID 60630648

IUPACN-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
SMILESCOc1cccc(CN(C)C(=O)C2CC2)c1
InChIInChI=1S/C13H17NO2/c1-14(13(15)11-6-7-11)9-10-4-3-5-12(8-10)16-2/h3-5,8,11H,6-7,9H2,1-2H3
InChIKeyVRZREQVKKKUUCY-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.06
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide

N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide (PubChem CID 60630648) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
PubChem CID60630648
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
SMILESCOc1cccc(CN(C)C(=O)C2CC2)c1
InChIInChI=1S/C13H17NO2/c1-14(13(15)11-6-7-11)9-10-4-3-5-12(8-10)16-2/h3-5,8,11H,6-7,9H2,1-2H3
InChIKeyVRZREQVKKKUUCY-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93376998
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 62339975
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
(3R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8960536
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8530716
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66265607
N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide
CID 60612591
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
4-[(3-bromophenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784849
4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148327

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide (CID 60630648) is N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide is COc1cccc(CN(C)C(=O)C2CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide?
The InChIKey is VRZREQVKKKUUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14(13(15)11-6-7-11)9-10-4-3-5-12(8-10)16-2/h3-5,8,11H,6-7,9H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide?
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 60630648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).