N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide

C14H19NO2 — CID 94158151

IUPACN-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N(C)CC1CC1
InChIInChI=1S/C14H19NO2/c1-11-5-3-4-6-13(11)17-10-14(16)15(2)9-12-7-8-12/h3-6,12H,7-10H2,1-2H3
InChIKeyZDCYLWBXDSNLBE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.24
Rot. Bonds5

About N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide

N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide (PubChem CID 94158151) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide
PubChem CID94158151
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N(C)CC1CC1
InChIInChI=1S/C14H19NO2/c1-11-5-3-4-6-13(11)17-10-14(16)15(2)9-12-7-8-12/h3-6,12H,7-10H2,1-2H3
InChIKeyZDCYLWBXDSNLBE-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide (CID 94158151) is N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)N(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide?
The InChIKey is ZDCYLWBXDSNLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-5-3-4-6-13(11)17-10-14(16)15(2)9-12-7-8-12/h3-6,12H,7-10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide?
N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 94158151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).