2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide

C14H20N2O2 — CID 54896557

IUPAC2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1cccc(CNC(=O)CNC2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-18-10-12-4-2-3-11(7-12)8-16-14(17)9-15-13-5-6-13/h2-4,7,13,15H,5-6,8-10H2,1H3,(H,16,17)
InChIKeyDGFGHEDIHJRHAZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.20
Rot. Bonds7

About 2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide

2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 54896557) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID54896557
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1cccc(CNC(=O)CNC2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-18-10-12-4-2-3-11(7-12)8-16-14(17)9-15-13-5-6-13/h2-4,7,13,15H,5-6,8-10H2,1H3,(H,16,17)
InChIKeyDGFGHEDIHJRHAZ-UHFFFAOYSA-N
XLogP1.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide
CID 60647316
2-(cyclopropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 60873169
2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62505597
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
2-(cyclopentylamino)-N-[3-(methoxymethyl)phenyl]acetamide
CID 60847107
2-(cyclohexylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 108993563
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 46479161
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
trans-methyl (1S,2S)-2-[[3-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylate
CID 99816213

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide (CID 54896557) is 2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide is COCc1cccc(CNC(=O)CNC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is DGFGHEDIHJRHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-10-12-4-2-3-11(7-12)8-16-14(17)9-15-13-5-6-13/h2-4,7,13,15H,5-6,8-10H2,1H3,(H,16,17).
What are the key properties of 2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 54896557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).