1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea

C14H30N4O4 — CID 22889505

IUPAC1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea
SMILESCCCNC(=O)NCCOCCOCCNC(=O)NCCC
InChIInChI=1S/C14H30N4O4/c1-3-5-15-13(19)17-7-9-21-11-12-22-10-8-18-14(20)16-6-4-2/h3-12H2,1-2H3,(H2,15,17,19)(H2,16,18,20)
InChIKeySCBTXSALNPDHAG-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.44
Rot. Bonds13

About 1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea

1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea (PubChem CID 22889505) has the molecular formula C14H30N4O4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea.

Molecular Properties

Compound Name1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea
PubChem CID22889505
Molecular FormulaC14H30N4O4
Molecular Weight318.42 g/mol
Exact Mass318.23
IUPAC Name1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea
SMILESCCCNC(=O)NCCOCCOCCNC(=O)NCCC
InChIInChI=1S/C14H30N4O4/c1-3-5-15-13(19)17-7-9-21-11-12-22-10-8-18-14(20)16-6-4-2/h3-12H2,1-2H3,(H2,15,17,19)(H2,16,18,20)
InChIKeySCBTXSALNPDHAG-UHFFFAOYSA-N
XLogP0.44
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dibutyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
CID 657534
N,N'-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
CID 657689
N,N'-dibutyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxamide
CID 657657
1-{[(S)-1,4-dioxan-2-yl]methyl}-3-ethyl-1-methylurea
CID 97041017
m-PEG-triethoxysilane (MW 5000)
CID 89833948
1-[2-Fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propyl]-3-methylurea
CID 166118481
[1-[(2-Acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate
CID 162417920
1-[3,3,3-Trifluoro-2-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)propyl]-3-[2-[2-[[3,3,3-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propoxy]propyl]carbamoylamino]ethoxy]ethyl]urea
CID 161023683
N-[1-acetamido-2-(2-ethoxyethoxy)ethyl]acetamide
CID 17810408
N-{3-[{2-[2-(Dimethylamino)ethoxy]ethyl}(methyl)amino]propyl}urea
CID 17979394
1,3-Bis[1-(2-aminopropoxy)propan-2-yl]urea
CID 20663363
1-[2-(Carbamoylamino)propoxy]propan-2-ylurea
CID 20663364

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea?
The IUPAC name of 1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea (CID 22889505) is 1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea.
What is the SMILES notation for 1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea?
The canonical SMILES for 1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea is CCCNC(=O)NCCOCCOCCNC(=O)NCCC.
What is the InChIKey of 1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea?
The InChIKey is SCBTXSALNPDHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O4/c1-3-5-15-13(19)17-7-9-21-11-12-22-10-8-18-14(20)16-6-4-2/h3-12H2,1-2H3,(H2,15,17,19)(H2,16,18,20).
What are the key properties of 1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea?
1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea has a molecular weight of 318.42 g/mol, XLogP of 0.44, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea is sourced from PubChem (CID 22889505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).