1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea

C12H26N2O2 — CID 54260499

IUPAC1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea
SMILESCCCN(C(=O)N(C)CCO)C(CC)CC
InChIInChI=1S/C12H26N2O2/c1-5-8-14(11(6-2)7-3)12(16)13(4)9-10-15/h11,15H,5-10H2,1-4H3
InChIKeyRDDWBHNIMSWTRP-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.93
Rot. Bonds7

About 1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea

1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea (PubChem CID 54260499) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea
PubChem CID54260499
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea
SMILESCCCN(C(=O)N(C)CCO)C(CC)CC
InChIInChI=1S/C12H26N2O2/c1-5-8-14(11(6-2)7-3)12(16)13(4)9-10-15/h11,15H,5-10H2,1-4H3
InChIKeyRDDWBHNIMSWTRP-UHFFFAOYSA-N
XLogP1.93
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Urea, N,N-bis(2-hydroxyethyl)-N',N'-bis(2-hydroxypropyl)-
CID 11536274
Urea, N,N-bis(2-hydroxyethyl)-N',N'-dimethyl-
CID 11644012
N-(2-hydroxyethyl)-N-methyl-1-pyrrolidinecarboxamide
CID 15078442
1,3-Bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea
CID 16722254
1,1-Bis(1-hydroxypropan-2-yl)urea
CID 18328488
1,1,3-Tris(2-hydroxyethyl)-3-methylurea
CID 19812754
1,3-Diethyl-1,3-bis(2-hydroxyethyl)urea
CID 19812755
N-[5-(diethylamino)pentan-2-yl]-N-(2-hydroxyethyl)formamide
CID 20337111
1-[2-[Carbamoyl(2-hydroxyethyl)amino]butan-2-yl]-1-(2-hydroxyethyl)urea
CID 20557118
1-(1-Hydroxyethyl)-1,3-dimethyl-3-propan-2-ylurea
CID 22093047
1-Butyl-3-hydroxy-1-(2-hydroxyethyl)-3-methylurea
CID 22900659
1-(2-Hydroxyethyl)-1,3-di(propan-2-yl)urea
CID 43574138

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea?
The IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea (CID 54260499) is 1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea is CCCN(C(=O)N(C)CCO)C(CC)CC.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea?
The InChIKey is RDDWBHNIMSWTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-8-14(11(6-2)7-3)12(16)13(4)9-10-15/h11,15H,5-10H2,1-4H3.
What are the key properties of 1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea?
1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea has a molecular weight of 230.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea is sourced from PubChem (CID 54260499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).