2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide

C16H24N2O2 — CID 43277091

IUPAC2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-10-17-16(19)12(2)20-15-8-4-13(5-9-15)11-18-14-6-7-14/h4-5,8-9,12,14,18H,3,6-7,10-11H2,1-2H3,(H,17,19)
InChIKeyJZTKFOUKWAEELL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds8

About 2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide

2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide (PubChem CID 43277091) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide
PubChem CID43277091
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-10-17-16(19)12(2)20-15-8-4-13(5-9-15)11-18-14-6-7-14/h4-5,8-9,12,14,18H,3,6-7,10-11H2,1-2H3,(H,17,19)
InChIKeyJZTKFOUKWAEELL-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43277090
N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide
CID 43276998
2-[4-(aminomethyl)phenoxy]-N-propylpropanamide
CID 43115802
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-[3-[(cyclopropylamino)methyl]phenoxy]-N-(2-methoxyethyl)propanamide
CID 43278513
ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate
CID 83034609
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
CID 47218923

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide (CID 43277091) is 2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(CNC2CC2)cc1.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide?
The InChIKey is JZTKFOUKWAEELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-10-17-16(19)12(2)20-15-8-4-13(5-9-15)11-18-14-6-7-14/h4-5,8-9,12,14,18H,3,6-7,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide?
2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide is sourced from PubChem (CID 43277091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).