N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide

C14H22N2O2 — CID 54879263

IUPACN,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide
SMILESCNC(C)c1ccc(OCCC(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-11(15-2)12-5-7-13(8-6-12)18-10-9-14(17)16(3)4/h5-8,11,15H,9-10H2,1-4H3
InChIKeyVPHYCCCYGIDMMJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.82
Rot. Bonds6

About N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide

N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide (PubChem CID 54879263) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide
PubChem CID54879263
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide
SMILESCNC(C)c1ccc(OCCC(=O)N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-11(15-2)12-5-7-13(8-6-12)18-10-9-14(17)16(3)4/h5-8,11,15H,9-10H2,1-4H3
InChIKeyVPHYCCCYGIDMMJ-UHFFFAOYSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 43285961
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
1-[3-[3-[4-[(1R)-1-(methylamino)ethyl]phenoxy]propoxy]propoxy]propan-2-one
CID 126671533
N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide
CID 116820440
3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934759
4-[4-[1-(methylamino)ethyl]phenoxy]butanenitrile
CID 60880983
3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide
CID 54879287
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
2-[methyl-[3-(4-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119208995
3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 78930528
1,1,1-trifluoro-3-[4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 63899797
1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine
CID 103032686

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide (CID 54879263) is N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide is CNC(C)c1ccc(OCCC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide?
The InChIKey is VPHYCCCYGIDMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(15-2)12-5-7-13(8-6-12)18-10-9-14(17)16(3)4/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide?
N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.82, 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-[4-[1-(methylamino)ethyl]phenoxy]propanamide is sourced from PubChem (CID 54879263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).