N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide

C16H26N2O3 — CID 43279204

IUPACN-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide
SMILESCNC(C)c1ccc(OC(C)C(=O)NCCCOC)cc1
InChIInChI=1S/C16H26N2O3/c1-12(17-3)14-6-8-15(9-7-14)21-13(2)16(19)18-10-5-11-20-4/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyPVZPBDCTZSGABJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.89
Rot. Bonds9

About N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide

N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide (PubChem CID 43279204) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide
PubChem CID43279204
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide
SMILESCNC(C)c1ccc(OC(C)C(=O)NCCCOC)cc1
InChIInChI=1S/C16H26N2O3/c1-12(17-3)14-6-8-15(9-7-14)21-13(2)16(19)18-10-5-11-20-4/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyPVZPBDCTZSGABJ-UHFFFAOYSA-N
XLogP1.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367457
2-[4-[1-(methylamino)ethyl]phenoxy]-N-pentylpropanamide
CID 43279211
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78930257
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60906628
2-[4-[1-(methylamino)ethyl]phenoxy]-N-propan-2-ylpropanamide
CID 43279209
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 53288853
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17205110
2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43326339
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367423
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide (CID 43279204) is N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide is CNC(C)c1ccc(OC(C)C(=O)NCCCOC)cc1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide?
The InChIKey is PVZPBDCTZSGABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(17-3)14-6-8-15(9-7-14)21-13(2)16(19)18-10-5-11-20-4/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide?
N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide is sourced from PubChem (CID 43279204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).