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

C7H16N2O2 — CID 13181630

IUPAC1-(2-hydroxyethyl)-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)CCO
InChIInChI=1S/C7H16N2O2/c1-3-4-8-7(11)9(2)5-6-10/h10H,3-6H2,1-2H3,(H,8,11)
InChIKeyQMSFSDUKUOWESF-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.03
Rot. Bonds4

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

1-(2-hydroxyethyl)-1-methyl-3-propylurea (PubChem CID 13181630) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methyl-3-propylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methyl-3-propylurea
PubChem CID13181630
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name1-(2-hydroxyethyl)-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)CCO
InChIInChI=1S/C7H16N2O2/c1-3-4-8-7(11)9(2)5-6-10/h10H,3-6H2,1-2H3,(H,8,11)
InChIKeyQMSFSDUKUOWESF-UHFFFAOYSA-N
XLogP0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Urea, N,N'-bis(2-hydroxyethyl)-
CID 84910
1-(2-Hydroxyethyl)-3-t-butylurea
CID 2731520
1,3-Bis(3-hydroxypropyl)urea
CID 11658371
1-ethyl-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 57328124
1-Butyl-3-(2-hydroxyethyl)urea
CID 251995
1-Ethyl-3-(3-hydroxypropyl)urea
CID 4113675
3-(3-Hydroxypropyl)-1,3-dimethylurea
CID 55287953
1-(2-Hydroxyethyl)-1,3-diazinan-2-one
CID 55288148
N-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 57489401
N-ethyl-3-hydroxyazetidine-1-carboxamide
CID 63105702
5-Hydroxy-1-methyl-1,3-diazinan-2-one
CID 83694228
1-ethyl-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 57328330

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-propylurea?
The IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-propylurea (CID 13181630) is 1-(2-hydroxyethyl)-1-methyl-3-propylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methyl-3-propylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methyl-3-propylurea is CCCNC(=O)N(C)CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methyl-3-propylurea?
The InChIKey is QMSFSDUKUOWESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-4-8-7(11)9(2)5-6-10/h10H,3-6H2,1-2H3,(H,8,11).
What are the key properties of 1-(2-hydroxyethyl)-1-methyl-3-propylurea?
1-(2-hydroxyethyl)-1-methyl-3-propylurea has a molecular weight of 160.22 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methyl-3-propylurea is sourced from PubChem (CID 13181630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).