N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide

C16H22N2O3 — CID 90499435

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCC(C)(O)C2CC2)c1
InChIInChI=1S/C16H22N2O3/c1-10-4-5-11(2)13(8-10)18-15(20)14(19)17-9-16(3,21)12-6-7-12/h4-5,8,12,21H,6-7,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyDOFBOKSNDNYTFK-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.52
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide

N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide (PubChem CID 90499435) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide
PubChem CID90499435
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCC(C)(O)C2CC2)c1
InChIInChI=1S/C16H22N2O3/c1-10-4-5-11(2)13(8-10)18-15(20)14(19)17-9-16(3,21)12-6-7-12/h4-5,8,12,21H,6-7,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyDOFBOKSNDNYTFK-UHFFFAOYSA-N
XLogP1.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
CID 90499259
N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 52992789
N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 90499424
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 6618309
(3S)-N-(2,5-dimethylphenyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 8867596
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90535613
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 176536965
N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894697
N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 48894696
N'-(2,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514348
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 3263261

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide (CID 90499435) is N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide is Cc1ccc(C)c(NC(=O)C(=O)NCC(C)(O)C2CC2)c1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide?
The InChIKey is DOFBOKSNDNYTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-4-5-11(2)13(8-10)18-15(20)14(19)17-9-16(3,21)12-6-7-12/h4-5,8,12,21H,6-7,9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide?
N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide has a molecular weight of 290.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide is sourced from PubChem (CID 90499435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).