1-(2-methylpropyl)-3-(2-oxoethyl)urea

C7H14N2O2 — CID 117235660

IUPAC1-(2-methylpropyl)-3-(2-oxoethyl)urea
SMILESCC(C)CNC(=O)NCC=O
InChIInChI=1S/C7H14N2O2/c1-6(2)5-9-7(11)8-3-4-10/h4,6H,3,5H2,1-2H3,(H2,8,9,11)
InChIKeyQYVAVOXPCSYKPX-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.14
Rot. Bonds4

About 1-(2-methylpropyl)-3-(2-oxoethyl)urea

1-(2-methylpropyl)-3-(2-oxoethyl)urea (PubChem CID 117235660) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(2-oxoethyl)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(2-oxoethyl)urea
PubChem CID117235660
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-(2-methylpropyl)-3-(2-oxoethyl)urea
SMILESCC(C)CNC(=O)NCC=O
InChIInChI=1S/C7H14N2O2/c1-6(2)5-9-7(11)8-3-4-10/h4,6H,3,5H2,1-2H3,(H2,8,9,11)
InChIKeyQYVAVOXPCSYKPX-UHFFFAOYSA-N
XLogP0.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

hydron;1-(2-methylpropyl)-3-prop-2-enylurea
CID 174433469
1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea
CID 163779477
1-(2-methylpropyl)-3-prop-2-ynylurea
CID 130662493
1-(methoxymethyl)-3-(2-methylpropyl)urea
CID 110675890
1-(2-chloroethyl)-3-(2-methylpropyl)urea
CID 13254213
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685
2-(2-hydroxypropylamino)-N-(2-oxoethyl)acetamide
CID 156750692
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
2-methyl-4-oxo-N-(2-oxoethyl)butanamide
CID 138599204
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea
CID 110622595

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(2-oxoethyl)urea?
The IUPAC name of 1-(2-methylpropyl)-3-(2-oxoethyl)urea (CID 117235660) is 1-(2-methylpropyl)-3-(2-oxoethyl)urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(2-oxoethyl)urea?
The canonical SMILES for 1-(2-methylpropyl)-3-(2-oxoethyl)urea is CC(C)CNC(=O)NCC=O.
What is the InChIKey of 1-(2-methylpropyl)-3-(2-oxoethyl)urea?
The InChIKey is QYVAVOXPCSYKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(2)5-9-7(11)8-3-4-10/h4,6H,3,5H2,1-2H3,(H2,8,9,11).
What are the key properties of 1-(2-methylpropyl)-3-(2-oxoethyl)urea?
1-(2-methylpropyl)-3-(2-oxoethyl)urea has a molecular weight of 158.20 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(2-oxoethyl)urea is sourced from PubChem (CID 117235660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).