1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea

C11H24N2O — CID 94702761

IUPAC1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
SMILESCCNC(=O)N[C@H](C)CCCC(C)C
InChIInChI=1S/C11H24N2O/c1-5-12-11(14)13-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3,(H2,12,13,14)/t10-/m1/s1
InChIKeyQTIVSPBTMSDGNE-SNVBAGLBSA-N
MW200.33 g/mol
LogP2.52
Rot. Bonds6

About 1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea

1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea (PubChem CID 94702761) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
PubChem CID94702761
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
SMILESCCNC(=O)N[C@H](C)CCCC(C)C
InChIInChI=1S/C11H24N2O/c1-5-12-11(14)13-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3,(H2,12,13,14)/t10-/m1/s1
InChIKeyQTIVSPBTMSDGNE-SNVBAGLBSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-[(2S)-octan-2-yl]urea
CID 94866604
1-ethyl-3-octan-2-ylurea
CID 56827686
1-ethyl-3-(1-fluoropropan-2-yl)urea
CID 126991916
2-[[2-(6-methylheptan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61471562
1-methoxy-3-[(2S)-6-methylheptan-2-yl]urea
CID 97014465
(2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid
CID 61471236
1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
CID 158499294
1-ethyl-3-[(2R)-1-(2-methylpropoxy)propan-2-yl]urea
CID 97028932
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea
CID 111618340
N-(6-methylheptan-2-yl)butanamide
CID 60644759
3-(ethylamino)-N-(6-methylheptan-2-yl)butanamide
CID 62837477
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea?
The IUPAC name of 1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea (CID 94702761) is 1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea is CCNC(=O)N[C@H](C)CCCC(C)C.
What is the InChIKey of 1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea?
The InChIKey is QTIVSPBTMSDGNE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-12-11(14)13-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3,(H2,12,13,14)/t10-/m1/s1.
What are the key properties of 1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea?
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea has a molecular weight of 200.33 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea is sourced from PubChem (CID 94702761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).