2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide

C16H20N2O2 — CID 60883292

IUPAC2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccccc1CNC1CC1
InChIInChI=1S/C16H20N2O2/c1-3-10-17-16(19)12(2)20-15-7-5-4-6-13(15)11-18-14-8-9-14/h1,4-7,12,14,18H,8-11H2,2H3,(H,17,19)
InChIKeyIUDRESHJLIWDBD-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.46
Rot. Bonds7

About 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide

2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide (PubChem CID 60883292) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide
PubChem CID60883292
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccccc1CNC1CC1
InChIInChI=1S/C16H20N2O2/c1-3-10-17-16(19)12(2)20-15-7-5-4-6-13(15)11-18-14-8-9-14/h1,4-7,12,14,18H,8-11H2,2H3,(H,17,19)
InChIKeyIUDRESHJLIWDBD-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide
CID 43277371
2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 60879566
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 64669700
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715
2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide
CID 63090825
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553
2-fluoro-6-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid
CID 107013925
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 43278086
4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol
CID 28615243
4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031371
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608703

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide (CID 60883292) is 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1ccccc1CNC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide?
The InChIKey is IUDRESHJLIWDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-10-17-16(19)12(2)20-15-7-5-4-6-13(15)11-18-14-8-9-14/h1,4-7,12,14,18H,8-11H2,2H3,(H,17,19).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide?
2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 60883292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).