1-tert-butyl-3-(4-methyloxan-4-yl)urea

C11H22N2O2 — CID 116657944

IUPAC1-tert-butyl-3-(4-methyloxan-4-yl)urea
SMILESCC(C)(C)NC(=O)NC1(C)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)12-9(14)13-11(4)5-7-15-8-6-11/h5-8H2,1-4H3,(H2,12,13,14)
InChIKeyNPHDTPKDVNQTEG-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.65
Rot. Bonds1

About 1-tert-butyl-3-(4-methyloxan-4-yl)urea

1-tert-butyl-3-(4-methyloxan-4-yl)urea (PubChem CID 116657944) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-methyloxan-4-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(4-methyloxan-4-yl)urea
PubChem CID116657944
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-tert-butyl-3-(4-methyloxan-4-yl)urea
SMILESCC(C)(C)NC(=O)NC1(C)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)12-9(14)13-11(4)5-7-15-8-6-11/h5-8H2,1-4H3,(H2,12,13,14)
InChIKeyNPHDTPKDVNQTEG-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-(3-methyloxolan-3-yl)urea
CID 115766446
3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide
CID 113491107
2-chloro-N-(4-methyloxan-4-yl)acetamide
CID 18437326
(2R)-2-hydroxy-N-(4-methyloxan-4-yl)propanamide
CID 130718981
N-(4-methyloxan-4-yl)-2-sulfanylpropanamide
CID 107035609
1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65452446
2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 113491249
(2S)-4-methyl-2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 104866649
(2S)-3-methyl-2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 113491250
N-tert-butyl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920747
1-ethyl-1-methyl-3-(4-methyloxan-4-yl)urea
CID 116657948
1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea
CID 71910482

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-methyloxan-4-yl)urea?
The IUPAC name of 1-tert-butyl-3-(4-methyloxan-4-yl)urea (CID 116657944) is 1-tert-butyl-3-(4-methyloxan-4-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(4-methyloxan-4-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(4-methyloxan-4-yl)urea is CC(C)(C)NC(=O)NC1(C)CCOCC1.
What is the InChIKey of 1-tert-butyl-3-(4-methyloxan-4-yl)urea?
The InChIKey is NPHDTPKDVNQTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)12-9(14)13-11(4)5-7-15-8-6-11/h5-8H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-tert-butyl-3-(4-methyloxan-4-yl)urea?
1-tert-butyl-3-(4-methyloxan-4-yl)urea has a molecular weight of 214.31 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-methyloxan-4-yl)urea is sourced from PubChem (CID 116657944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).