1-ethyl-3-(3-methoxy-2-methylpropyl)urea

C8H18N2O2 — CID 115593972

IUPAC1-ethyl-3-(3-methoxy-2-methylpropyl)urea
SMILESCCNC(=O)NCC(C)COC
InChIInChI=1S/C8H18N2O2/c1-4-9-8(11)10-5-7(2)6-12-3/h7H,4-6H2,1-3H3,(H2,9,10,11)
InChIKeyITFADOYZTBMSEU-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.59
Rot. Bonds5

About 1-ethyl-3-(3-methoxy-2-methylpropyl)urea

1-ethyl-3-(3-methoxy-2-methylpropyl)urea (PubChem CID 115593972) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxy-2-methylpropyl)urea
PubChem CID115593972
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-ethyl-3-(3-methoxy-2-methylpropyl)urea
SMILESCCNC(=O)NCC(C)COC
InChIInChI=1S/C8H18N2O2/c1-4-9-8(11)10-5-7(2)6-12-3/h7H,4-6H2,1-3H3,(H2,9,10,11)
InChIKeyITFADOYZTBMSEU-UHFFFAOYSA-N
XLogP0.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65221880
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
CID 78979081
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
3-[(3-methoxy-2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898277
3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
CID 112735106
3-(ethylcarbamoylamino)-2-methylpropanoic acid
CID 62674990
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
1,3-diethylurea;ethane
CID 142885504
1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
CID 158499294
2-amino-N-(3-methoxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 114995893
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
CID 58493133

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methoxy-2-methylpropyl)urea?
The IUPAC name of 1-ethyl-3-(3-methoxy-2-methylpropyl)urea (CID 115593972) is 1-ethyl-3-(3-methoxy-2-methylpropyl)urea.
What is the SMILES notation for 1-ethyl-3-(3-methoxy-2-methylpropyl)urea?
The canonical SMILES for 1-ethyl-3-(3-methoxy-2-methylpropyl)urea is CCNC(=O)NCC(C)COC.
What is the InChIKey of 1-ethyl-3-(3-methoxy-2-methylpropyl)urea?
The InChIKey is ITFADOYZTBMSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-9-8(11)10-5-7(2)6-12-3/h7H,4-6H2,1-3H3,(H2,9,10,11).
What are the key properties of 1-ethyl-3-(3-methoxy-2-methylpropyl)urea?
1-ethyl-3-(3-methoxy-2-methylpropyl)urea has a molecular weight of 174.24 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxy-2-methylpropyl)urea is sourced from PubChem (CID 115593972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).