(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide

C20H25NO2 — CID 41177788

IUPAC(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C20H25NO2/c1-5-19(23-16-10-8-9-15(4)13-16)20(22)21-18-12-7-6-11-17(18)14(2)3/h6-14,19H,5H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyNFWDYUFUKSTHOR-LJQANCHMSA-N
MW311.43 g/mol
LogP4.91
Rot. Bonds6

About (2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide

(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide (PubChem CID 41177788) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
PubChem CID41177788
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
SMILESCC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C20H25NO2/c1-5-19(23-16-10-8-9-15(4)13-16)20(22)21-18-12-7-6-11-17(18)14(2)3/h6-14,19H,5H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyNFWDYUFUKSTHOR-LJQANCHMSA-N
XLogP4.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
CID 4928355
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
ethyl 2-[[(2S)-2-(3-methylphenoxy)butanoyl]amino]benzoate
CID 92676557
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013387
(2S)-2-(3-methylphenoxy)-N-(4-methyl-3-pyridinyl)butanamide
CID 97319745
(2R)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013388
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
(2R)-N-(2,4-dimethoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 93487599

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The IUPAC name of (2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide (CID 41177788) is (2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide.
What is the SMILES notation for (2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The canonical SMILES for (2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide is CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of (2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The InChIKey is NFWDYUFUKSTHOR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-19(23-16-10-8-9-15(4)13-16)20(22)21-18-12-7-6-11-17(18)14(2)3/h6-14,19H,5H2,1-4H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 41177788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).