(2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide

C25H27NO2 — CID 92683815

IUPAC(2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H27NO2/c1-17-15-18(2)19(3)23(16-17)28-20(4)25(27)26-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,20,24H,1-4H3,(H,26,27)/t20-/m1/s1
InChIKeyDDCFWHZJOZIRBD-HXUWFJFHSA-N
MW373.50 g/mol
LogP5.28
Rot. Bonds6

About (2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide

(2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 92683815) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID92683815
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H27NO2/c1-17-15-18(2)19(3)23(16-17)28-20(4)25(27)26-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,20,24H,1-4H3,(H,26,27)/t20-/m1/s1
InChIKeyDDCFWHZJOZIRBD-HXUWFJFHSA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 30382529
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94013055
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
(2R)-N-[(2-methylphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92675244
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94018683
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 28984413
(2R)-N-(3-chloro-4-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 99952466
N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide
CID 28580606
(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100709443
(2R)-2-(3-methoxyphenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28569116

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide (CID 92683815) is (2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is DDCFWHZJOZIRBD-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H27NO2/c1-17-15-18(2)19(3)23(16-17)28-20(4)25(27)26-24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,20,24H,1-4H3,(H,26,27)/t20-/m1/s1.
What are the key properties of (2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide?
(2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 373.50 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 92683815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).