N'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide

C13H21N3O4 — CID 97106386

IUPACN'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC[C@H](O)c1ccoc1
InChIInChI=1S/C13H21N3O4/c1-16(2)7-6-15-13(19)12(18)14-5-3-11(17)10-4-8-20-9-10/h4,8-9,11,17H,3,5-7H2,1-2H3,(H,14,18)(H,15,19)/t11-/m0/s1
InChIKeyJHZTVWVJKKLSKY-NSHDSACASA-N
MW283.33 g/mol
LogP-0.50
Rot. Bonds7

About N'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide

N'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide (PubChem CID 97106386) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide
PubChem CID97106386
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC NameN'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)NCC[C@H](O)c1ccoc1
InChIInChI=1S/C13H21N3O4/c1-16(2)7-6-15-13(19)12(18)14-5-3-11(17)10-4-8-20-9-10/h4,8-9,11,17H,3,5-7H2,1-2H3,(H,14,18)(H,15,19)/t11-/m0/s1
InChIKeyJHZTVWVJKKLSKY-NSHDSACASA-N
XLogP-0.50
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide (CID 97106386) is N'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide is CN(C)CCNC(=O)C(=O)NCC[C@H](O)c1ccoc1.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide?
The InChIKey is JHZTVWVJKKLSKY-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O4/c1-16(2)7-6-15-13(19)12(18)14-5-3-11(17)10-4-8-20-9-10/h4,8-9,11,17H,3,5-7H2,1-2H3,(H,14,18)(H,15,19)/t11-/m0/s1.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide?
N'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide has a molecular weight of 283.33 g/mol, XLogP of -0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]oxamide is sourced from PubChem (CID 97106386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).