(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide

C21H27NO2 — CID 28572865

IUPAC(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C21H27NO2/c1-4-19(24-20-13-9-8-10-16(20)2)21(23)22-17(3)14-15-18-11-6-5-7-12-18/h5-13,17,19H,4,14-15H2,1-3H3,(H,22,23)/t17-,19+/m0/s1
InChIKeyHJUZHVYGXNZSQD-PKOBYXMFSA-N
MW325.45 g/mol
LogP4.29
Rot. Bonds8

About (2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide

(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide (PubChem CID 28572865) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide
PubChem CID28572865
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C21H27NO2/c1-4-19(24-20-13-9-8-10-16(20)2)21(23)22-17(3)14-15-18-11-6-5-7-12-18/h5-13,17,19H,4,14-15H2,1-3H3,(H,22,23)/t17-,19+/m0/s1
InChIKeyHJUZHVYGXNZSQD-PKOBYXMFSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]butanamide
CID 132652224
2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide
CID 132652022
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651227
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide
CID 110001590
(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92677761
2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide
CID 46763081
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
CID 119351050
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide?
The IUPAC name of (2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide (CID 28572865) is (2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide.
What is the SMILES notation for (2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide?
The canonical SMILES for (2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide is CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)CCc1ccccc1.
What is the InChIKey of (2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide?
The InChIKey is HJUZHVYGXNZSQD-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-19(24-20-13-9-8-10-16(20)2)21(23)22-17(3)14-15-18-11-6-5-7-12-18/h5-13,17,19H,4,14-15H2,1-3H3,(H,22,23)/t17-,19+/m0/s1.
What are the key properties of (2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide?
(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide has a molecular weight of 325.45 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide is sourced from PubChem (CID 28572865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).