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

C16H22N2O2 — CID 60889158

IUPAC2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(C(CC)NC)cc1
InChIInChI=1S/C16H22N2O2/c1-5-11-18-16(19)12(3)20-14-9-7-13(8-10-14)15(6-2)17-4/h1,7-10,12,15,17H,6,11H2,2-4H3,(H,18,19)
InChIKeyVALSOJORQZCILP-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.87
Rot. Bonds7

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

2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide (PubChem CID 60889158) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide
PubChem CID60889158
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(C(CC)NC)cc1
InChIInChI=1S/C16H22N2O2/c1-5-11-18-16(19)12(3)20-14-9-7-13(8-10-14)15(6-2)17-4/h1,7-10,12,15,17H,6,11H2,2-4H3,(H,18,19)
InChIKeyVALSOJORQZCILP-UHFFFAOYSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide
CID 60889157
2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide
CID 115495948
2-(4-methylsulfonylphenoxy)-N-prop-2-ynylpropanamide
CID 47145088
2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60882115
2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 43504220
2-(7-hydroxynaphthalen-2-yl)oxy-N-prop-2-ynylpropanamide
CID 43326439
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
CID 79795171
2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide
CID 43279211
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide (CID 60889158) is 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1ccc(C(CC)NC)cc1.
What is the InChIKey of 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide?
The InChIKey is VALSOJORQZCILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-11-18-16(19)12(3)20-14-9-7-13(8-10-14)15(6-2)17-4/h1,7-10,12,15,17H,6,11H2,2-4H3,(H,18,19).
What are the key properties of 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide?
2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 60889158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).