2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide

C17H26N2O2 — CID 43277371

IUPAC2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccccc1CNC1CC1
InChIInChI=1S/C17H26N2O2/c1-4-19(5-2)17(20)13(3)21-16-9-7-6-8-14(16)12-18-15-10-11-15/h6-9,13,15,18H,4-5,10-12H2,1-3H3
InChIKeyJFIUQFWNQBGICJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.57
Rot. Bonds8

About 2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide

2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide (PubChem CID 43277371) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide
PubChem CID43277371
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1ccccc1CNC1CC1
InChIInChI=1S/C17H26N2O2/c1-4-19(5-2)17(20)13(3)21-16-9-7-6-8-14(16)12-18-15-10-11-15/h6-9,13,15,18H,4-5,10-12H2,1-3H3
InChIKeyJFIUQFWNQBGICJ-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60883292
ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 64669700
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate
CID 107696451
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]propanamide
CID 43279005
2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042512
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide
CID 78930736
4-[(2-ethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809553
N-[4-[(2-cyclobutyloxyphenyl)methylamino]cyclohexyl]acetamide
CID 99634765
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
CID 93488429
2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 65102205

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide (CID 43277371) is 2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1ccccc1CNC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide?
The InChIKey is JFIUQFWNQBGICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19(5-2)17(20)13(3)21-16-9-7-6-8-14(16)12-18-15-10-11-15/h6-9,13,15,18H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide?
2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.57, 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]phenoxy]-N,N-diethylpropanamide is sourced from PubChem (CID 43277371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).