(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide

C25H27NO2 — CID 92677784

IUPAC(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-4-23(28-22-16-15-18(2)19(3)17-22)25(27)26-24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17,23-24H,4H2,1-3H3,(H,26,27)/t23-/m1/s1
InChIKeySDGAXYNCZRWQAC-HSZRJFAPSA-N
MW373.50 g/mol
LogP5.37
Rot. Bonds7

About (2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide

(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 92677784) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
PubChem CID92677784
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-4-23(28-22-16-15-18(2)19(3)17-22)25(27)26-24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17,23-24H,4H2,1-3H3,(H,26,27)/t23-/m1/s1
InChIKeySDGAXYNCZRWQAC-HSZRJFAPSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 7366385
(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243628
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631
(2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569042
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963
2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 43916230
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 28574092
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 94016048

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of (2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide (CID 92677784) is (2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for (2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide is CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is SDGAXYNCZRWQAC-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27NO2/c1-4-23(28-22-16-15-18(2)19(3)17-22)25(27)26-24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-17,23-24H,4H2,1-3H3,(H,26,27)/t23-/m1/s1.
What are the key properties of (2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide?
(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 373.50 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 92677784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).