1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea

C14H31N3O3 — CID 167243372

IUPAC1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea
SMILESCCCNCCOCCOCCNC(=O)NCC(C)C
InChIInChI=1S/C14H31N3O3/c1-4-5-15-6-8-19-10-11-20-9-7-16-14(18)17-12-13(2)3/h13,15H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyQMNWRHCVOBBRAM-UHFFFAOYSA-N
MW289.42 g/mol
LogP0.97
Rot. Bonds13

About 1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea

1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea (PubChem CID 167243372) has the molecular formula C14H31N3O3 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea
PubChem CID167243372
Molecular FormulaC14H31N3O3
Molecular Weight289.42 g/mol
Exact Mass289.24
IUPAC Name1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea
SMILESCCCNCCOCCOCCNC(=O)NCC(C)C
InChIInChI=1S/C14H31N3O3/c1-4-5-15-6-8-19-10-11-20-9-7-16-14(18)17-12-13(2)3/h13,15H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyQMNWRHCVOBBRAM-UHFFFAOYSA-N
XLogP0.97
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 50.97
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-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 138727149
1-[2-(3,3-dimethylbutoxy)ethyl]-3-(2-methylpropyl)urea
CID 164775026
1-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethyl]-3-(2-methylpropyl)urea
CID 157491190
N-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-2-(2-methylpropylamino)acetamide
CID 156547181
2-[[2-(3-methylbutoxy)ethylcarbamoylamino]methyl]butanoic acid
CID 65222324
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 166800536
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733
ethane;1-ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea;molecular hydrogen;sulfane
CID 142616341
4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid
CID 103159167
1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea
CID 103082293
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea?
The IUPAC name of 1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea (CID 167243372) is 1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea?
The canonical SMILES for 1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea is CCCNCCOCCOCCNC(=O)NCC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea?
The InChIKey is QMNWRHCVOBBRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3/c1-4-5-15-6-8-19-10-11-20-9-7-16-14(18)17-12-13(2)3/h13,15H,4-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea?
1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea has a molecular weight of 289.42 g/mol, XLogP of 0.97, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethyl]urea is sourced from PubChem (CID 167243372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).