1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea

C9H20N2O4 — CID 91137504

IUPAC1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea
SMILESCNC(=O)N(CCOC)CC(OC)OC
InChIInChI=1S/C9H20N2O4/c1-10-9(12)11(5-6-13-2)7-8(14-3)15-4/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyNDKKKKLAEVAYLA-UHFFFAOYSA-N
MW220.27 g/mol
LogP-0.11
Rot. Bonds7

About 1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea

1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea (PubChem CID 91137504) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea
PubChem CID91137504
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea
SMILESCNC(=O)N(CCOC)CC(OC)OC
InChIInChI=1S/C9H20N2O4/c1-10-9(12)11(5-6-13-2)7-8(14-3)15-4/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyNDKKKKLAEVAYLA-UHFFFAOYSA-N
XLogP-0.11
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate
CID 115536455
(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 80756983
3-ethyl-1,1-bis(2-methoxyethyl)urea
CID 108890462
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313
(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid
CID 115535060
4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 54985894
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158774

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea?
The IUPAC name of 1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea (CID 91137504) is 1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea is CNC(=O)N(CCOC)CC(OC)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea?
The InChIKey is NDKKKKLAEVAYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4/c1-10-9(12)11(5-6-13-2)7-8(14-3)15-4/h8H,5-7H2,1-4H3,(H,10,12).
What are the key properties of 1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea?
1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea has a molecular weight of 220.27 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-1-(2-methoxyethyl)-3-methylurea is sourced from PubChem (CID 91137504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).