1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea

C11H25N3O2 — CID 111121311

IUPAC1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCCCCN(C)CCNC(=O)NC(C)CO
InChIInChI=1S/C11H25N3O2/c1-4-5-7-14(3)8-6-12-11(16)13-10(2)9-15/h10,15H,4-9H2,1-3H3,(H2,12,13,16)
InChIKeyUWWNXRMOQBZPJO-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.40
Rot. Bonds8

About 1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea

1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 111121311) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID111121311
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCCCCN(C)CCNC(=O)NC(C)CO
InChIInChI=1S/C11H25N3O2/c1-4-5-7-14(3)8-6-12-11(16)13-10(2)9-15/h10,15H,4-9H2,1-3H3,(H2,12,13,16)
InChIKeyUWWNXRMOQBZPJO-UHFFFAOYSA-N
XLogP0.40
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 130441437
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 111751267
1-dodecyl-3-[3-[3-(dodecylcarbamoylamino)propyl-methylamino]propyl]urea
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CID 111631017
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CID 108795247
1-[2-(dimethylamino)ethyl]-3-hexadecan-8-ylurea
CID 129287958
(2S)-2-[2-[methyl-[6-oxo-6-(2-sulfanylethylamino)hexyl]amino]ethylcarbamoylamino]propanoic acid
CID 89162317
1-butyl-3-(1-hydroxybutan-2-yl)urea
CID 43393019
1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 111802302
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]pentanoic acid
CID 107566847
(2R)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 107827546
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CID 62635321

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea (CID 111121311) is 1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea is CCCCN(C)CCNC(=O)NC(C)CO.
What is the InChIKey of 1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is UWWNXRMOQBZPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-4-5-7-14(3)8-6-12-11(16)13-10(2)9-15/h10,15H,4-9H2,1-3H3,(H2,12,13,16).
What are the key properties of 1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea?
1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 231.34 g/mol, XLogP of 0.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butyl(methyl)amino]ethyl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 111121311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).