N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide

C16H25NO3 — CID 78930736

IUPACN,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide
SMILESCC[C@H](O)c1ccccc1OC(C)C(=O)N(CC)CC
InChIInChI=1S/C16H25NO3/c1-5-14(18)13-10-8-9-11-15(13)20-12(4)16(19)17(6-2)7-3/h8-12,14,18H,5-7H2,1-4H3/t12?,14-/m0/s1
InChIKeyNARDZBVEPPDHPY-PYMCNQPYSA-N
MW279.38 g/mol
LogP2.77
Rot. Bonds7

About N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide

N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide (PubChem CID 78930736) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide
PubChem CID78930736
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide
SMILESCC[C@H](O)c1ccccc1OC(C)C(=O)N(CC)CC
InChIInChI=1S/C16H25NO3/c1-5-14(18)13-10-8-9-11-15(13)20-12(4)16(19)17(6-2)7-3/h8-12,14,18H,5-7H2,1-4H3/t12?,14-/m0/s1
InChIKeyNARDZBVEPPDHPY-PYMCNQPYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide
CID 43503504
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)propanamide
CID 63365164
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
N,N-diethyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]propanamide
CID 63067505
N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide
CID 43503517
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 43503502
2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 65102205
2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid
CID 83041368
N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
CID 78933708
(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide
CID 43277371

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide?
The IUPAC name of N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide (CID 78930736) is N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide.
What is the SMILES notation for N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide?
The canonical SMILES for N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide is CC[C@H](O)c1ccccc1OC(C)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide?
The InChIKey is NARDZBVEPPDHPY-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-14(18)13-10-8-9-11-15(13)20-12(4)16(19)17(6-2)7-3/h8-12,14,18H,5-7H2,1-4H3/t12?,14-/m0/s1.
What are the key properties of N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide?
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide is sourced from PubChem (CID 78930736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).