(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide

C27H30N2O4 — CID 1293024

IUPAC(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1NC(=O)[C@@H](CC)Oc1ccccc1
InChIInChI=1S/C27H30N2O4/c1-4-24(32-20-12-8-6-9-13-20)26(30)28-22-17-16-19(3)18-23(22)29-27(31)25(5-2)33-21-14-10-7-11-15-21/h6-18,24-25H,4-5H2,1-3H3,(H,28,30)(H,29,31)/t24-,25-/m1/s1
InChIKeyFNDNFNGDOOWAOK-JWQCQUIFSA-N
MW446.55 g/mol
LogP5.59
Rot. Bonds10

About (2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide

(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide (PubChem CID 1293024) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is (2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
PubChem CID1293024
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC Name(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1NC(=O)[C@@H](CC)Oc1ccccc1
InChIInChI=1S/C27H30N2O4/c1-4-24(32-20-12-8-6-9-13-20)26(30)28-22-17-16-19(3)18-23(22)29-27(31)25(5-2)33-21-14-10-7-11-15-21/h6-18,24-25H,4-5H2,1-3H3,(H,28,30)(H,29,31)/t24-,25-/m1/s1
InChIKeyFNDNFNGDOOWAOK-JWQCQUIFSA-N
XLogP5.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide with MolForge

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725
N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide
CID 2932932
3-methyl-4-(2-phenoxybutanoylamino)benzoic acid
CID 17342639
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284433
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082545
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 41177788
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide
CID 99133056
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide?
The IUPAC name of (2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide (CID 1293024) is (2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide is CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C)cc1NC(=O)[C@@H](CC)Oc1ccccc1.
What is the InChIKey of (2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide?
The InChIKey is FNDNFNGDOOWAOK-JWQCQUIFSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-4-24(32-20-12-8-6-9-13-20)26(30)28-22-17-16-19(3)18-23(22)29-27(31)25(5-2)33-21-14-10-7-11-15-21/h6-18,24-25H,4-5H2,1-3H3,(H,28,30)(H,29,31)/t24-,25-/m1/s1.
What are the key properties of (2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide?
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide has a molecular weight of 446.55 g/mol, XLogP of 5.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide is sourced from PubChem (CID 1293024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).