N'-cyclopropyl-N-(3-methylbutyl)oxamide

C10H18N2O2 — CID 44996021

IUPACN'-cyclopropyl-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NC1CC1
InChIInChI=1S/C10H18N2O2/c1-7(2)5-6-11-9(13)10(14)12-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyDTAOFUHOMCHNFR-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.43
Rot. Bonds4

About N'-cyclopropyl-N-(3-methylbutyl)oxamide

N'-cyclopropyl-N-(3-methylbutyl)oxamide (PubChem CID 44996021) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N'-cyclopropyl-N-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-(3-methylbutyl)oxamide
PubChem CID44996021
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN'-cyclopropyl-N-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NC1CC1
InChIInChI=1S/C10H18N2O2/c1-7(2)5-6-11-9(13)10(14)12-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyDTAOFUHOMCHNFR-UHFFFAOYSA-N
XLogP0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(3-methylbutyl)oxamide?
The IUPAC name of N'-cyclopropyl-N-(3-methylbutyl)oxamide (CID 44996021) is N'-cyclopropyl-N-(3-methylbutyl)oxamide.
What is the SMILES notation for N'-cyclopropyl-N-(3-methylbutyl)oxamide?
The canonical SMILES for N'-cyclopropyl-N-(3-methylbutyl)oxamide is CC(C)CCNC(=O)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-(3-methylbutyl)oxamide?
The InChIKey is DTAOFUHOMCHNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(2)5-6-11-9(13)10(14)12-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N'-cyclopropyl-N-(3-methylbutyl)oxamide?
N'-cyclopropyl-N-(3-methylbutyl)oxamide has a molecular weight of 198.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(3-methylbutyl)oxamide is sourced from PubChem (CID 44996021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).