2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide

C16H25NO3 — CID 63364137

IUPAC2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C16H25NO3/c1-5-14(6-2)17-16(19)12(4)20-15-9-7-13(8-10-15)11(3)18/h7-12,14,18H,5-6H2,1-4H3,(H,17,19)/t11-,12?/m1/s1
InChIKeyNIISRQKYOWZYLA-JHJMLUEUSA-N
MW279.38 g/mol
LogP2.81
Rot. Bonds7

About 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide

2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide (PubChem CID 63364137) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
PubChem CID63364137
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C16H25NO3/c1-5-14(6-2)17-16(19)12(4)20-15-9-7-13(8-10-15)11(3)18/h7-12,14,18H,5-6H2,1-4H3,(H,17,19)/t11-,12?/m1/s1
InChIKeyNIISRQKYOWZYLA-JHJMLUEUSA-N
XLogP2.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63367662
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide
CID 115495748
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
N-(ethylcarbamoyl)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63364090
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
2-[4-(1-hydroxyethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489740
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]-N-pentan-3-ylpropanamide
CID 79775506
N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190570
N-carbamoyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930610

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide (CID 63364137) is 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1ccc([C@@H](C)O)cc1.
What is the InChIKey of 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide?
The InChIKey is NIISRQKYOWZYLA-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-14(6-2)17-16(19)12(4)20-15-9-7-13(8-10-15)11(3)18/h7-12,14,18H,5-6H2,1-4H3,(H,17,19)/t11-,12?/m1/s1.
What are the key properties of 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide?
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 63364137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).