1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea

C14H28N2O — CID 174009059

IUPAC1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea
SMILESCCNC(=O)NC1CC(C[C@@H](CC)C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-5-12(10(3)4)7-11-8-13(9-11)16-14(17)15-6-2/h10-13H,5-9H2,1-4H3,(H2,15,16,17)/t11?,12-,13?/m1/s1
InChIKeyKATQXFKKVRQKTG-OTTFEQOBSA-N
MW240.39 g/mol
LogP3.16
Rot. Bonds6

About 1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea

1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea (PubChem CID 174009059) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea
PubChem CID174009059
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea
SMILESCCNC(=O)NC1CC(C[C@@H](CC)C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-5-12(10(3)4)7-11-8-13(9-11)16-14(17)15-6-2/h10-13H,5-9H2,1-4H3,(H2,15,16,17)/t11?,12-,13?/m1/s1
InChIKeyKATQXFKKVRQKTG-OTTFEQOBSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-aminocyclobutyl)-3-ethylurea
CID 43596703
1-ethyl-3-[(1R,3R)-3-(2-methylsulfanylpropyl)cyclohexyl]urea
CID 167076650
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
N-[2-[[4-(ethylcarbamoylamino)cyclohexyl]carbamoylamino]ethyl]acetamide
CID 59418797
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
1-ethyl-3-(3-hydroxycyclohexyl)urea
CID 103618902
[4-(ethylcarbamoylamino)cyclohexyl] (Z)-2-methylbut-2-enoate
CID 97416620
4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80541030
2-(cyclopropylcarbamoylamino)-N-ethylpropanamide
CID 115575153
3-[[(3-ethylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 81069457
N-[3-(2-methylbutyl)cyclohexyl]acetamide
CID 142366490
(2S)-2-hydroxy-3-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 107841042

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea?
The IUPAC name of 1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea (CID 174009059) is 1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea?
The canonical SMILES for 1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea is CCNC(=O)NC1CC(C[C@@H](CC)C(C)C)C1.
What is the InChIKey of 1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea?
The InChIKey is KATQXFKKVRQKTG-OTTFEQOBSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-12(10(3)4)7-11-8-13(9-11)16-14(17)15-6-2/h10-13H,5-9H2,1-4H3,(H2,15,16,17)/t11?,12-,13?/m1/s1.
What are the key properties of 1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea?
1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea has a molecular weight of 240.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[(2R)-2-ethyl-3-methylbutyl]cyclobutyl]urea is sourced from PubChem (CID 174009059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).