N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide

C12H22N2O3 — CID 90499420

IUPACN'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCC(C)(O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(2)6-13-10(15)11(16)14-7-12(3,17)9-4-5-9/h8-9,17H,4-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyCDRZZSNTPBZXPE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.04
Rot. Bonds5

About N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide

N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide (PubChem CID 90499420) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide
PubChem CID90499420
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)NCC(C)(O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(2)6-13-10(15)11(16)14-7-12(3,17)9-4-5-9/h8-9,17H,4-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyCDRZZSNTPBZXPE-UHFFFAOYSA-N
XLogP0.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.04
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-hydroxy-2-phenylethyl)-N-(2-methylpropyl)oxamide
CID 90535558
N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 90499424
N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2-methylsulfanylphenyl)oxamide
CID 56764387
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 94909095
N-(2-cyclopropyl-2-hydroxypropyl)cyclobutanecarboxamide
CID 90499246
N-(2-cyclopentyl-2-hydroxypropyl)acetamide
CID 126988295
N-(2-cyclopropyl-2-hydroxypropyl)cyclohexanecarboxamide
CID 90499250
N'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 90499449
N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide
CID 176757801
N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 52992789
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide
CID 90499285

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide (CID 90499420) is N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)NCC(C)(O)C1CC1.
What is the InChIKey of N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide?
The InChIKey is CDRZZSNTPBZXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)6-13-10(15)11(16)14-7-12(3,17)9-4-5-9/h8-9,17H,4-7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide?
N'-(2-cyclopropyl-2-hydroxypropyl)-N-(2-methylpropyl)oxamide has a molecular weight of 242.32 g/mol, XLogP of 0.04, 5 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-methylpropyl)oxamide is sourced from PubChem (CID 90499420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).