2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide

C16H26N2O3 — CID 78930257

IUPAC2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide
SMILESCC[C@@H](N)c1ccc(OC(C)C(=O)NCCCOC)cc1
InChIInChI=1S/C16H26N2O3/c1-4-15(17)13-6-8-14(9-7-13)21-12(2)16(19)18-10-5-11-20-3/h6-9,12,15H,4-5,10-11,17H2,1-3H3,(H,18,19)/t12?,15-/m1/s1
InChIKeyNNGHFMDFBPIMHY-WPZCJLIBSA-N
MW294.40 g/mol
LogP2.02
Rot. Bonds9

About 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide

2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide (PubChem CID 78930257) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide
PubChem CID78930257
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide
SMILESCC[C@@H](N)c1ccc(OC(C)C(=O)NCCCOC)cc1
InChIInChI=1S/C16H26N2O3/c1-4-15(17)13-6-8-14(9-7-13)21-12(2)16(19)18-10-5-11-20-3/h6-9,12,15H,4-5,10-11,17H2,1-3H3,(H,18,19)/t12?,15-/m1/s1
InChIKeyNNGHFMDFBPIMHY-WPZCJLIBSA-N
XLogP2.02
TPSA73.58 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 ≤ 52.02
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
N-(3-methoxypropyl)-2-[4-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43279204
2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60906628
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367423
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63367662
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 53288853
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17205110

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide (CID 78930257) is 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide is CC[C@@H](N)c1ccc(OC(C)C(=O)NCCCOC)cc1.
What is the InChIKey of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide?
The InChIKey is NNGHFMDFBPIMHY-WPZCJLIBSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-15(17)13-6-8-14(9-7-13)21-12(2)16(19)18-10-5-11-20-3/h6-9,12,15H,4-5,10-11,17H2,1-3H3,(H,18,19)/t12?,15-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide?
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 78930257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).