2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide

C16H22N2O3 — CID 60882115

IUPAC2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(C(C)NC)cc1OC
InChIInChI=1S/C16H22N2O3/c1-6-9-18-16(19)12(3)21-14-8-7-13(11(2)17-4)10-15(14)20-5/h1,7-8,10-12,17H,9H2,2-5H3,(H,18,19)
InChIKeyFMKNYEWVIYEUHI-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.49
Rot. Bonds7

About 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide

2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide (PubChem CID 60882115) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide
PubChem CID60882115
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(C(C)NC)cc1OC
InChIInChI=1S/C16H22N2O3/c1-6-9-18-16(19)12(3)21-14-8-7-13(11(2)17-4)10-15(14)20-5/h1,7-8,10-12,17H,9H2,2-5H3,(H,18,19)
InChIKeyFMKNYEWVIYEUHI-UHFFFAOYSA-N
XLogP1.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-prop-2-ynylpropanamide
CID 43112207
2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60878492
4-methoxy-3-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid
CID 79726276
1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
CID 60881368
N-ethyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propanamide
CID 43503787
methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
CID 60882110
2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60889158
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78931098
2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 43279407
3-chloro-4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid
CID 61320366
2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43112291
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 78931101

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide (CID 60882115) is 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1ccc(C(C)NC)cc1OC.
What is the InChIKey of 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide?
The InChIKey is FMKNYEWVIYEUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-6-9-18-16(19)12(3)21-14-8-7-13(11(2)17-4)10-15(14)20-5/h1,7-8,10-12,17H,9H2,2-5H3,(H,18,19).
What are the key properties of 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide?
2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide has a molecular weight of 290.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 60882115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).