1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea

C12H26N4O3 — CID 158499294

IUPAC1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
SMILESCCNC(=O)NC(C)COCC(C)NC(=O)NCC
InChIInChI=1S/C12H26N4O3/c1-5-13-11(17)15-9(3)7-19-8-10(4)16-12(18)14-6-2/h9-10H,5-8H2,1-4H3,(H2,13,15,17)(H2,14,16,18)
InChIKeyHJRPTNCKOFIVJI-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.42
Rot. Bonds8

About 1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea

1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea (PubChem CID 158499294) has the molecular formula C12H26N4O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
PubChem CID158499294
Molecular FormulaC12H26N4O3
Molecular Weight274.36 g/mol
Exact Mass274.20
IUPAC Name1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
SMILESCCNC(=O)NC(C)COCC(C)NC(=O)NCC
InChIInChI=1S/C12H26N4O3/c1-5-13-11(17)15-9(3)7-19-8-10(4)16-12(18)14-6-2/h9-10H,5-8H2,1-4H3,(H2,13,15,17)(H2,14,16,18)
InChIKeyHJRPTNCKOFIVJI-UHFFFAOYSA-N
XLogP0.42
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea
CID 97028932
1-ethyl-3-(1-fluoropropan-2-yl)urea
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1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761
1-(1-ethoxypropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115592823
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
1-ethyl-3-[(2S)-octan-2-yl]urea
CID 94866604
1-ethyl-3-octan-2-ylurea
CID 56827686
methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea
CID 130424651
1-ethyl-3-[1-[4-[(Z)-2-fluoroethenyl]cyclohexyl]oxypropan-2-yl]urea
CID 167101202
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea?
The IUPAC name of 1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea (CID 158499294) is 1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea is CCNC(=O)NC(C)COCC(C)NC(=O)NCC.
What is the InChIKey of 1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea?
The InChIKey is HJRPTNCKOFIVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3/c1-5-13-11(17)15-9(3)7-19-8-10(4)16-12(18)14-6-2/h9-10H,5-8H2,1-4H3,(H2,13,15,17)(H2,14,16,18).
What are the key properties of 1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea?
1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea has a molecular weight of 274.36 g/mol, XLogP of 0.42, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea is sourced from PubChem (CID 158499294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).