N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide

C13H20N2O2 — CID 54879203

IUPACN,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide
SMILESCNCc1ccccc1OCCC(=O)N(C)C
InChIInChI=1S/C13H20N2O2/c1-14-10-11-6-4-5-7-12(11)17-9-8-13(16)15(2)3/h4-7,14H,8-10H2,1-3H3
InChIKeyOZSFDUZLCXPVDW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.26
Rot. Bonds6

About N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide

N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide (PubChem CID 54879203) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide
PubChem CID54879203
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC NameN,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide
SMILESCNCc1ccccc1OCCC(=O)N(C)C
InChIInChI=1S/C13H20N2O2/c1-14-10-11-6-4-5-7-12(11)17-9-8-13(16)15(2)3/h4-7,14H,8-10H2,1-3H3
InChIKeyOZSFDUZLCXPVDW-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
N,N-dimethyl-4-[2-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057663
N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide
CID 112608394
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
N,N-dimethyl-3-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54935293
1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62450311
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
tert-butyl N-[3-[2-(methylaminomethyl)phenoxy]propyl]carbamate
CID 123160691
4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline
CID 62434817
2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine
CID 63691253
3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
CID 54879106

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide?
The IUPAC name of N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide (CID 54879203) is N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide?
The canonical SMILES for N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide is CNCc1ccccc1OCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide?
The InChIKey is OZSFDUZLCXPVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-10-11-6-4-5-7-12(11)17-9-8-13(16)15(2)3/h4-7,14H,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide?
N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide has a molecular weight of 236.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide is sourced from PubChem (CID 54879203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).