2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide

C12H24N4O3 — CID 83120793

IUPAC2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide
SMILESCN(C)C(=O)NCCNCC(=O)NC1CCOCC1
InChIInChI=1S/C12H24N4O3/c1-16(2)12(18)14-6-5-13-9-11(17)15-10-3-7-19-8-4-10/h10,13H,3-9H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyFYLACBHPCRZRJX-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.86
Rot. Bonds6

About 2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide

2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide (PubChem CID 83120793) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide
PubChem CID83120793
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide
SMILESCN(C)C(=O)NCCNCC(=O)NC1CCOCC1
InChIInChI=1S/C12H24N4O3/c1-16(2)12(18)14-6-5-13-9-11(17)15-10-3-7-19-8-4-10/h10,13H,3-9H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyFYLACBHPCRZRJX-UHFFFAOYSA-N
XLogP-0.86
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide
CID 63100245
N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide
CID 87598954
N-(oxan-4-yl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428733
1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea
CID 83120439
2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide
CID 106246683
2-(2-methoxypropylamino)-N-(oxan-4-yl)acetamide
CID 102697815
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712
3-cyclopropyl-1-[2-(dimethylcarbamoylamino)ethyl]-1-methylurea
CID 75449864
N-cycloheptyl-2-(oxan-4-ylmethylamino)acetamide
CID 63725638
2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 63098151

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide (CID 83120793) is 2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide is CN(C)C(=O)NCCNCC(=O)NC1CCOCC1.
What is the InChIKey of 2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is FYLACBHPCRZRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-16(2)12(18)14-6-5-13-9-11(17)15-10-3-7-19-8-4-10/h10,13H,3-9H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide?
2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 272.35 g/mol, XLogP of -0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 83120793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).