3-[2-[1-(methylamino)ethyl]phenoxy]propanamide

C12H18N2O2 — CID 43279505

IUPAC3-[2-[1-(methylamino)ethyl]phenoxy]propanamide
SMILESCNC(C)c1ccccc1OCCC(N)=O
InChIInChI=1S/C12H18N2O2/c1-9(14-2)10-5-3-4-6-11(10)16-8-7-12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15)
InChIKeyXPTCPMKSFQRJQB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds6

About 3-[2-[1-(methylamino)ethyl]phenoxy]propanamide

3-[2-[1-(methylamino)ethyl]phenoxy]propanamide (PubChem CID 43279505) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[2-[1-(methylamino)ethyl]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[1-(methylamino)ethyl]phenoxy]propanamide
PubChem CID43279505
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[2-[1-(methylamino)ethyl]phenoxy]propanamide
SMILESCNC(C)c1ccccc1OCCC(N)=O
InChIInChI=1S/C12H18N2O2/c1-9(14-2)10-5-3-4-6-11(10)16-8-7-12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15)
InChIKeyXPTCPMKSFQRJQB-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279578
4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453
3-[2-[(1S)-1-aminoethyl]phenoxy]-N-methylpropanamide
CID 78936451
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
2-[2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 55131608
3-(2-aminophenoxy)propanamide
CID 39869131
N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine
CID 104804559
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489481
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide
CID 62534715
(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
CID 137320021

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(methylamino)ethyl]phenoxy]propanamide?
The IUPAC name of 3-[2-[1-(methylamino)ethyl]phenoxy]propanamide (CID 43279505) is 3-[2-[1-(methylamino)ethyl]phenoxy]propanamide.
What is the SMILES notation for 3-[2-[1-(methylamino)ethyl]phenoxy]propanamide?
The canonical SMILES for 3-[2-[1-(methylamino)ethyl]phenoxy]propanamide is CNC(C)c1ccccc1OCCC(N)=O.
What is the InChIKey of 3-[2-[1-(methylamino)ethyl]phenoxy]propanamide?
The InChIKey is XPTCPMKSFQRJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(14-2)10-5-3-4-6-11(10)16-8-7-12(13)15/h3-6,9,14H,7-8H2,1-2H3,(H2,13,15).
What are the key properties of 3-[2-[1-(methylamino)ethyl]phenoxy]propanamide?
3-[2-[1-(methylamino)ethyl]phenoxy]propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(methylamino)ethyl]phenoxy]propanamide is sourced from PubChem (CID 43279505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).