(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide

C20H25NO2 — CID 41198910

IUPAC(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
SMILESCC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-15(2)14-19(17-10-6-4-7-11-17)21-20(22)16(3)23-18-12-8-5-9-13-18/h4-13,15-16,19H,14H2,1-3H3,(H,21,22)/t16-,19-/m1/s1
InChIKeyCECVOZOHLKGJQO-VQIMIIECSA-N
MW311.43 g/mol
LogP4.36
Rot. Bonds7

About (2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide

(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide (PubChem CID 41198910) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
PubChem CID41198910
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
SMILESCC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-15(2)14-19(17-10-6-4-7-11-17)21-20(22)16(3)23-18-12-8-5-9-13-18/h4-13,15-16,19H,14H2,1-3H3,(H,21,22)/t16-,19-/m1/s1
InChIKeyCECVOZOHLKGJQO-VQIMIIECSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 94013029
(2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92674586
(2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 92679279
(2R)-2-(3-chlorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92679276
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92680978
N-(1-amino-4-methylpentan-2-yl)-2-phenoxypropanamide
CID 119588476
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-2-yloxypropanamide
CID 94018574
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2R)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenoxy)propanamide
CID 92679616
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132666166
(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92685363
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide (CID 41198910) is (2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide is CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide?
The InChIKey is CECVOZOHLKGJQO-VQIMIIECSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(2)14-19(17-10-6-4-7-11-17)21-20(22)16(3)23-18-12-8-5-9-13-18/h4-13,15-16,19H,14H2,1-3H3,(H,21,22)/t16-,19-/m1/s1.
What are the key properties of (2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide?
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide has a molecular weight of 311.43 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide is sourced from PubChem (CID 41198910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).