1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea

C9H18N2O2 — CID 155460362

IUPAC1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/N(C)C(=O)N(C)C(C)OC
InChIInChI=1S/C9H18N2O2/c1-6-7-10(3)9(12)11(4)8(2)13-5/h6-8H,1-5H3/b7-6+
InChIKeyMBDBZYLBEUWTJA-VOTSOKGWSA-N
MW186.25 g/mol
LogP1.50
Rot. Bonds3

About 1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea

1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea (PubChem CID 155460362) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea
PubChem CID155460362
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/N(C)C(=O)N(C)C(C)OC
InChIInChI=1S/C9H18N2O2/c1-6-7-10(3)9(12)11(4)8(2)13-5/h6-8H,1-5H3/b7-6+
InChIKeyMBDBZYLBEUWTJA-VOTSOKGWSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-methyl-N-[(E)-3-methylbut-1-enyl]carbamate
CID 101353840
fluoro(1-methoxyethyl)carbamic acid
CID 23050911
1,3-dimethyl-1-[(E)-prop-1-enyl]urea
CID 44554794
(Z)-1-N-[(Z)-ethylideneamino]-2-N-(1-methoxyethyl)-2-N-methylprop-1-ene-1,2-diamine
CID 166874136
(1S)-1-methoxy-N,N-dimethylethanamine
CID 89341126
(Z)-N,3-dimethyl-N-[(Z)-prop-1-enyl]but-1-en-1-amine;ethane
CID 142053710
N,N-bis(prop-1-enyl)acetamide
CID 85447022
methyl N-fluoro-N-(1-methoxyethyl)carbamate
CID 23050912
acetyl(1-methoxyethyl)carbamic acid
CID 21444920
methyl 3-[but-2-enyl(methyl)amino]-2-methylpropanoate
CID 76886619
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
methyl 2-[2-aminopropanoyl(methyl)amino]propanoate
CID 18723921

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea (CID 155460362) is 1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea is C/C=C/N(C)C(=O)N(C)C(C)OC.
What is the InChIKey of 1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea?
The InChIKey is MBDBZYLBEUWTJA-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6-7-10(3)9(12)11(4)8(2)13-5/h6-8H,1-5H3/b7-6+.
What are the key properties of 1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea?
1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea has a molecular weight of 186.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)-1,3-dimethyl-3-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 155460362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).