3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide

C12H25N3O3 — CID 20736984

IUPAC3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide
SMILESCNC(=O)NCCOCCNC(=O)CC(C)(C)C
InChIInChI=1S/C12H25N3O3/c1-12(2,3)9-10(16)14-5-7-18-8-6-15-11(17)13-4/h5-9H2,1-4H3,(H,14,16)(H2,13,15,17)
InChIKeyYEBKOOBPSXRHPL-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.48
Rot. Bonds7

About 3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide

3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide (PubChem CID 20736984) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide
PubChem CID20736984
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide
SMILESCNC(=O)NCCOCCNC(=O)CC(C)(C)C
InChIInChI=1S/C12H25N3O3/c1-12(2,3)9-10(16)14-5-7-18-8-6-15-11(17)13-4/h5-9H2,1-4H3,(H,14,16)(H2,13,15,17)
InChIKeyYEBKOOBPSXRHPL-UHFFFAOYSA-N
XLogP0.48
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
CID 139566565
3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
CID 135224068
3,3-dimethyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 167271345
1-[2-(2-chloroethoxy)ethyl]-3-methylurea
CID 157271726
3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
CID 155613017
1-(2-but-3-enoxyethyl)-3-methylurea
CID 103852773
N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide
CID 108574166
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
2,2-diethyl-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid
CID 54867533
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
3,3-dimethyl-N-[7-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-oxoheptyl]butanamide
CID 161203588
tert-butyl N-[2-[2-[2-[(3,5,5-trimethyl-3-sulfanylhexanoyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 178135504

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide (CID 20736984) is 3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide is CNC(=O)NCCOCCNC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide?
The InChIKey is YEBKOOBPSXRHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-12(2,3)9-10(16)14-5-7-18-8-6-15-11(17)13-4/h5-9H2,1-4H3,(H,14,16)(H2,13,15,17).
What are the key properties of 3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide?
3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide has a molecular weight of 259.35 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide is sourced from PubChem (CID 20736984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).