N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide

C9H17N3O2 — CID 3312354

IUPACN'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NC1CC1
InChIInChI=1S/C9H17N3O2/c1-12(2)6-5-10-8(13)9(14)11-7-3-4-7/h7H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyXHFKLOZCDYZNKQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.06
Rot. Bonds4

About N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide

N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide (PubChem CID 3312354) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide
PubChem CID3312354
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NC1CC1
InChIInChI=1S/C9H17N3O2/c1-12(2)6-5-10-8(13)9(14)11-7-3-4-7/h7H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyXHFKLOZCDYZNKQ-UHFFFAOYSA-N
XLogP-1.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N'-cyclopropyloxamide
CID 43315719
N-(2-aminoethyl)-N'-(4-hydroxycyclohexyl)oxamide
CID 43315763
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 21353407
N'-cyclopropyl-N-[(2R)-2-hydroxypropyl]oxamide
CID 51471601
3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium
CID 7321968
N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide
CID 108940978
N-[2-(dimethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3156704
N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960232
N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide
CID 95984687
3-cyclopropyl-1-[2-(dimethylcarbamoylamino)ethyl]-1-methylurea
CID 75449864
N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892026
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide (CID 3312354) is N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide is CN(C)CCNC(=O)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide?
The InChIKey is XHFKLOZCDYZNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-12(2)6-5-10-8(13)9(14)11-7-3-4-7/h7H,3-6H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide?
N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide has a molecular weight of 199.25 g/mol, XLogP of -1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide is sourced from PubChem (CID 3312354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).