(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide

C14H21NO3 — CID 925169

IUPAC(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
SMILESCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-5-10(2)15-14(16)11(3)18-13-8-6-12(17-4)7-9-13/h6-11H,5H2,1-4H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyPKECGXIXGFEZRR-WDEREUQCSA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds6

About (2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide

(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 925169) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
PubChem CID925169
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
SMILESCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-5-10(2)15-14(16)11(3)18-13-8-6-12(17-4)7-9-13/h6-11H,5H2,1-4H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyPKECGXIXGFEZRR-WDEREUQCSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze (2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
N-butan-2-yl-2-(4-formylphenoxy)propanamide
CID 43117148
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 104704703
ethyl 4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718348
2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 115279935
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide (CID 925169) is (2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide is CC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(OC)cc1.
What is the InChIKey of (2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is PKECGXIXGFEZRR-WDEREUQCSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-10(2)15-14(16)11(3)18-13-8-6-12(17-4)7-9-13/h6-11H,5H2,1-4H3,(H,15,16)/t10-,11+/m0/s1.
What are the key properties of (2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide?
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 251.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 925169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).