2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide

C16H25NO4 — CID 43503502

IUPAC2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide
SMILESCCC(O)c1ccccc1OC(C)C(=O)NCCCOC
InChIInChI=1S/C16H25NO4/c1-4-14(18)13-8-5-6-9-15(13)21-12(2)16(19)17-10-7-11-20-3/h5-6,8-9,12,14,18H,4,7,10-11H2,1-3H3,(H,17,19)
InChIKeyWWTIDEQSJNFXFQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.05
Rot. Bonds9

About 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide

2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide (PubChem CID 43503502) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide
PubChem CID43503502
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide
SMILESCCC(O)c1ccccc1OC(C)C(=O)NCCCOC
InChIInChI=1S/C16H25NO4/c1-4-14(18)13-8-5-6-9-15(13)21-12(2)16(19)17-10-7-11-20-3/h5-6,8-9,12,14,18H,4,7,10-11H2,1-3H3,(H,17,19)
InChIKeyWWTIDEQSJNFXFQ-UHFFFAOYSA-N
XLogP2.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.05
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-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)propanamide
CID 63365164
2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 60747305
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63364873
N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43877163
N-cyclopropyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide
CID 43503504
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
N-ethyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 55189875
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 63650006
N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide
CID 43503517
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide (CID 43503502) is 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide is CCC(O)c1ccccc1OC(C)C(=O)NCCCOC.
What is the InChIKey of 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide?
The InChIKey is WWTIDEQSJNFXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-4-14(18)13-8-5-6-9-15(13)21-12(2)16(19)17-10-7-11-20-3/h5-6,8-9,12,14,18H,4,7,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide?
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide has a molecular weight of 295.38 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 43503502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).