2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide

C17H26N2O2 — CID 63326550

IUPAC2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(C)cc1CNC1CC1
InChIInChI=1S/C17H26N2O2/c1-4-19(5-2)17(20)12-21-16-9-6-13(3)10-14(16)11-18-15-7-8-15/h6,9-10,15,18H,4-5,7-8,11-12H2,1-3H3
InChIKeyNCYFIYFWYHFMPW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds8

About 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide

2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide (PubChem CID 63326550) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide
PubChem CID63326550
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(C)cc1CNC1CC1
InChIInChI=1S/C17H26N2O2/c1-4-19(5-2)17(20)12-21-16-9-6-13(3)10-14(16)11-18-15-7-8-15/h6,9-10,15,18H,4-5,7-8,11-12H2,1-3H3
InChIKeyNCYFIYFWYHFMPW-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]ethanol
CID 63326627
2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide
CID 114319211
2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
CID 107696376
N-[[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 106929315
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine
CID 77011503
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326986
N-cyclopropyl-N-methyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63323656

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide (CID 63326550) is 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(C)cc1CNC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide?
The InChIKey is NCYFIYFWYHFMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19(5-2)17(20)12-21-16-9-6-13(3)10-14(16)11-18-15-7-8-15/h6,9-10,15,18H,4-5,7-8,11-12H2,1-3H3.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide?
2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]-4-methylphenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 63326550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).