N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide

C21H26N2O4 — CID 100723369

IUPACN-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide
SMILESCC(C)(O)c1cccc(NC(=O)C(=O)NCC(CCO)c2ccccc2)c1
InChIInChI=1S/C21H26N2O4/c1-21(2,27)17-9-6-10-18(13-17)23-20(26)19(25)22-14-16(11-12-24)15-7-4-3-5-8-15/h3-10,13,16,24,27H,11-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyNJEGERMYYKHINL-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.13
Rot. Bonds7

About N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide

N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide (PubChem CID 100723369) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide
PubChem CID100723369
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide
SMILESCC(C)(O)c1cccc(NC(=O)C(=O)NCC(CCO)c2ccccc2)c1
InChIInChI=1S/C21H26N2O4/c1-21(2,27)17-9-6-10-18(13-17)23-20(26)19(25)22-14-16(11-12-24)15-7-4-3-5-8-15/h3-10,13,16,24,27H,11-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyNJEGERMYYKHINL-UHFFFAOYSA-N
XLogP2.13
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide
CID 111456276
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453141
N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
CID 121112034
1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452788
N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90534599
N'-(4-ethylphenyl)-N-(5-hydroxy-3-phenylpentyl)oxamide
CID 121112357
N-[2-(2-hydroxyethyl)-4-methylpentyl]-N'-(3-methylphenyl)oxamide
CID 111521522
N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497636
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea
CID 111450045
1-(4-hydroxy-2-phenylbutyl)-3-[(3-methylphenyl)methyl]urea
CID 111450411

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide?
The IUPAC name of N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide (CID 100723369) is N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide.
What is the SMILES notation for N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide?
The canonical SMILES for N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide is CC(C)(O)c1cccc(NC(=O)C(=O)NCC(CCO)c2ccccc2)c1.
What is the InChIKey of N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide?
The InChIKey is NJEGERMYYKHINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,27)17-9-6-10-18(13-17)23-20(26)19(25)22-14-16(11-12-24)15-7-4-3-5-8-15/h3-10,13,16,24,27H,11-12,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide?
N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide has a molecular weight of 370.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-hydroxy-2-phenylbutyl]-N'-[3-(2-hydroxypropan-2-yl)phenyl]oxamide is sourced from PubChem (CID 100723369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).