(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide

C14H21NO3 — CID 40745436

IUPAC(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
SMILESCCCCNC(=O)[C@@H](C)Oc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-4-5-10-15-14(16)11(2)18-13-9-7-6-8-12(13)17-3/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyBFQCGXXPTLYRSO-LLVKDONJSA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds7

About (2R)-N-butyl-2-(2-methoxyphenoxy)propanamide

(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide (PubChem CID 40745436) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-N-butyl-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
PubChem CID40745436
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
SMILESCCCCNC(=O)[C@@H](C)Oc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-4-5-10-15-14(16)11(2)18-13-9-7-6-8-12(13)17-3/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyBFQCGXXPTLYRSO-LLVKDONJSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63364873
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022
4-[1-(butylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid
CID 43113701
2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 80722346
2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 43113670
N'-[2-(2-methoxyphenoxy)propanoyl]hexanehydrazide
CID 4955589
N-[3-(furan-2-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 53286312
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide
CID 60904970
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
2-(2-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 132655789
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 92685168

Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-butyl-2-(2-methoxyphenoxy)propanamide (CID 40745436) is (2R)-N-butyl-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-butyl-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-butyl-2-(2-methoxyphenoxy)propanamide is CCCCNC(=O)[C@@H](C)Oc1ccccc1OC.
What is the InChIKey of (2R)-N-butyl-2-(2-methoxyphenoxy)propanamide?
The InChIKey is BFQCGXXPTLYRSO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-5-10-15-14(16)11(2)18-13-9-7-6-8-12(13)17-3/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-N-butyl-2-(2-methoxyphenoxy)propanamide?
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide has a molecular weight of 251.33 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 40745436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).