N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide

C14H21NO4 — CID 103920282

IUPACN-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
SMILESCC[C@H](CO)NC(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C14H21NO4/c1-4-11(9-16)15-14(17)10(2)19-13-7-5-12(18-3)6-8-13/h5-8,10-11,16H,4,9H2,1-3H3,(H,15,17)/t10?,11-/m1/s1
InChIKeyQSXFZFGWJKHPMT-RRKGBCIJSA-N
MW267.33 g/mol
LogP1.35
Rot. Bonds7

About N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide

N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 103920282) has the molecular formula C14H21NO4 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
PubChem CID103920282
Molecular FormulaC14H21NO4
Molecular Weight267.33 g/mol
Exact Mass267.15
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
SMILESCC[C@H](CO)NC(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C14H21NO4/c1-4-11(9-16)15-14(17)10(2)19-13-7-5-12(18-3)6-8-13/h5-8,10-11,16H,4,9H2,1-3H3,(H,15,17)/t10?,11-/m1/s1
InChIKeyQSXFZFGWJKHPMT-RRKGBCIJSA-N
XLogP1.35
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 104981500
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 110895980
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63364137
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63367662
2-[4-(2-hydroxypropyl)phenoxy]-N-pentan-3-ylpropanamide
CID 115495748

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide (CID 103920282) is N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide is CC[C@H](CO)NC(=O)C(C)Oc1ccc(OC)cc1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is QSXFZFGWJKHPMT-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-11(9-16)15-14(17)10(2)19-13-7-5-12(18-3)6-8-13/h5-8,10-11,16H,4,9H2,1-3H3,(H,15,17)/t10?,11-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide?
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 267.33 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 103920282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).