1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane

C15H32N2O2 — CID 143418948

IUPAC1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane
SMILESCC.CC.CC(=O)C(NC(=O)NC1CC1)C(C)(C)C
InChIInChI=1S/C11H20N2O2.2C2H6/c1-7(14)9(11(2,3)4)13-10(15)12-8-5-6-8;2*1-2/h8-9H,5-6H2,1-4H3,(H2,12,13,15);2*1-2H3
InChIKeySGISDPGSOJXMLM-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.50
Rot. Bonds3

About 1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane

1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane (PubChem CID 143418948) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane
PubChem CID143418948
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane
SMILESCC.CC.CC(=O)C(NC(=O)NC1CC1)C(C)(C)C
InChIInChI=1S/C11H20N2O2.2C2H6/c1-7(14)9(11(2,3)4)13-10(15)12-8-5-6-8;2*1-2/h8-9H,5-6H2,1-4H3,(H2,12,13,15);2*1-2H3
InChIKeySGISDPGSOJXMLM-UHFFFAOYSA-N
XLogP3.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62416183
(2S)-2-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
(2S)-2-(tert-butylcarbamoylamino)-N-cyclopropyl-3,3-dimethylbutanamide
CID 173105917
(2R)-3,3-dimethyl-2-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 113353183
1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea
CID 143418831
(2R)-3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoylamino]butanoic acid
CID 104937666
(2R)-2-[(3-methoxycyclobutyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 114120347
N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide
CID 58331654
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
1-cyclopropyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79256331
4-(4,4-dimethylpent-1-yn-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122024777
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
CID 58257381

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane?
The IUPAC name of 1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane (CID 143418948) is 1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane.
What is the SMILES notation for 1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane?
The canonical SMILES for 1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane is CC.CC.CC(=O)C(NC(=O)NC1CC1)C(C)(C)C.
What is the InChIKey of 1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane?
The InChIKey is SGISDPGSOJXMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.2C2H6/c1-7(14)9(11(2,3)4)13-10(15)12-8-5-6-8;2*1-2/h8-9H,5-6H2,1-4H3,(H2,12,13,15);2*1-2H3.
What are the key properties of 1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane?
1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane has a molecular weight of 272.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane is sourced from PubChem (CID 143418948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).