benzene;1-tert-butyl-1,3,3-trimethylurea;ethane

C16H30N2O — CID 91227131

IUPACbenzene;1-tert-butyl-1,3,3-trimethylurea;ethane
SMILESCC.CN(C)C(=O)N(C)C(C)(C)C.c1ccccc1
InChIInChI=1S/C8H18N2O.C6H6.C2H6/c1-8(2,3)10(6)7(11)9(4)5;1-2-4-6-5-3-1;1-2/h1-6H3;1-6H;1-2H3
InChIKeyVXVNSELQBRVZGO-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.11
Rot. Bonds

About benzene;1-tert-butyl-1,3,3-trimethylurea;ethane

benzene;1-tert-butyl-1,3,3-trimethylurea;ethane (PubChem CID 91227131) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is benzene;1-tert-butyl-1,3,3-trimethylurea;ethane.

Molecular Properties

Compound Namebenzene;1-tert-butyl-1,3,3-trimethylurea;ethane
PubChem CID91227131
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Namebenzene;1-tert-butyl-1,3,3-trimethylurea;ethane
SMILESCC.CN(C)C(=O)N(C)C(C)(C)C.c1ccccc1
InChIInChI=1S/C8H18N2O.C6H6.C2H6/c1-8(2,3)10(6)7(11)9(4)5;1-2-4-6-5-3-1;1-2/h1-6H3;1-6H;1-2H3
InChIKeyVXVNSELQBRVZGO-UHFFFAOYSA-N
XLogP4.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[Dimethyl(phenyl)silyl]propyl]-1,3,3-trimethylurea
CID 86178368
Benzene;1,1-dimethyl-3-propan-2-ylurea
CID 20363267
Benzene;1-methyl-3-propan-2-ylurea
CID 20363277
Benzene;1,3-dimethyl-1,3-diazinan-2-one
CID 70209375
Bis(1-tert-butyl-1-methylurea);toluene
CID 70304434
Benzene;1,3-diethylurea;ethane
CID 161245020
Benzene;1,3-dimethylimidazolidin-2-one
CID 174852083

Frequently Asked Questions

What is the IUPAC name of benzene;1-tert-butyl-1,3,3-trimethylurea;ethane?
The IUPAC name of benzene;1-tert-butyl-1,3,3-trimethylurea;ethane (CID 91227131) is benzene;1-tert-butyl-1,3,3-trimethylurea;ethane.
What is the SMILES notation for benzene;1-tert-butyl-1,3,3-trimethylurea;ethane?
The canonical SMILES for benzene;1-tert-butyl-1,3,3-trimethylurea;ethane is CC.CN(C)C(=O)N(C)C(C)(C)C.c1ccccc1.
What is the InChIKey of benzene;1-tert-butyl-1,3,3-trimethylurea;ethane?
The InChIKey is VXVNSELQBRVZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C6H6.C2H6/c1-8(2,3)10(6)7(11)9(4)5;1-2-4-6-5-3-1;1-2/h1-6H3;1-6H;1-2H3.
What are the key properties of benzene;1-tert-butyl-1,3,3-trimethylurea;ethane?
benzene;1-tert-butyl-1,3,3-trimethylurea;ethane has a molecular weight of 266.43 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-tert-butyl-1,3,3-trimethylurea;ethane is sourced from PubChem (CID 91227131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).