2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide

C26H36N2O4 — CID 167773618

IUPAC2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide
SMILESCC(c1ccccc1)C(C)(O)C(=O)N(C)CCN(C)C(=O)C(C)(O)C(C)c1ccccc1
InChIInChI=1S/C26H36N2O4/c1-19(21-13-9-7-10-14-21)25(3,31)23(29)27(5)17-18-28(6)24(30)26(4,32)20(2)22-15-11-8-12-16-22/h7-16,19-20,31-32H,17-18H2,1-6H3
InChIKeyLBIZDZZMQGJODH-UHFFFAOYSA-N
MW440.58 g/mol
LogP3.01
Rot. Bonds9

About 2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide

2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide (PubChem CID 167773618) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide
PubChem CID167773618
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide
SMILESCC(c1ccccc1)C(C)(O)C(=O)N(C)CCN(C)C(=O)C(C)(O)C(C)c1ccccc1
InChIInChI=1S/C26H36N2O4/c1-19(21-13-9-7-10-14-21)25(3,31)23(29)27(5)17-18-28(6)24(30)26(4,32)20(2)22-15-11-8-12-16-22/h7-16,19-20,31-32H,17-18H2,1-6H3
InChIKeyLBIZDZZMQGJODH-UHFFFAOYSA-N
XLogP3.01
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-2,3-dimethyl-4-phenylpent-1-en-3-ol
CID 10261932
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CID 79303573
2-hydroxy-2,3-dimethyl-4,4-diphenylbutanoic acid
CID 79304394
2-benzhydryl-2-hydroxy-4-methyl-4-phenylpentanoic acid
CID 175263687
2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide
CID 7310648
4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one
CID 141291359
2,3-dimethyl-4-phenylpentane-1,3-diol
CID 141303157
2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
CID 79387422
(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide
CID 155263043
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
2-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylbutanamide
CID 122144681

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide?
The IUPAC name of 2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide (CID 167773618) is 2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide.
What is the SMILES notation for 2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide?
The canonical SMILES for 2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide is CC(c1ccccc1)C(C)(O)C(=O)N(C)CCN(C)C(=O)C(C)(O)C(C)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide?
The InChIKey is LBIZDZZMQGJODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-19(21-13-9-7-10-14-21)25(3,31)23(29)27(5)17-18-28(6)24(30)26(4,32)20(2)22-15-11-8-12-16-22/h7-16,19-20,31-32H,17-18H2,1-6H3.
What are the key properties of 2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide?
2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide has a molecular weight of 440.58 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-[(2-hydroxy-2-methyl-3-phenylbutanoyl)-methylamino]ethyl]-N,2-dimethyl-3-phenylbutanamide is sourced from PubChem (CID 167773618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).