N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide

C17H26N2O4 — CID 134161720

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide
SMILESCOCCC(C)(O)CNC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-12(2)13-5-7-14(8-6-13)19-16(21)15(20)18-11-17(3,22)9-10-23-4/h5-8,12,22H,9-11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyVDEQDWAXBYPURZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.65
Rot. Bonds7

About N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 134161720) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID134161720
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide
SMILESCOCCC(C)(O)CNC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H26N2O4/c1-12(2)13-5-7-14(8-6-13)19-16(21)15(20)18-11-17(3,22)9-10-23-4/h5-8,12,22H,9-11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyVDEQDWAXBYPURZ-UHFFFAOYSA-N
XLogP1.65
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 624152
N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 111490720
N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008
N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498674
N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide
CID 90498651
N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2175728
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
2-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106249808
N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide
CID 103784147
N'-(3-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
CID 90501064
(2R)-2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbutanamide
CID 106254016

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide (CID 134161720) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide is COCCC(C)(O)CNC(=O)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is VDEQDWAXBYPURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(2)13-5-7-14(8-6-13)19-16(21)15(20)18-11-17(3,22)9-10-23-4/h5-8,12,22H,9-11H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 322.41 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 134161720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).