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

C7H16N2O2 — CID 110675890

IUPAC1-(methoxymethyl)-3-(2-methylpropyl)urea
SMILESCOCNC(=O)NCC(C)C
InChIInChI=1S/C7H16N2O2/c1-6(2)4-8-7(10)9-5-11-3/h6H,4-5H2,1-3H3,(H2,8,9,10)
InChIKeyGMEGHQBCCHQBHL-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.55
Rot. Bonds4

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

1-(methoxymethyl)-3-(2-methylpropyl)urea (PubChem CID 110675890) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(methoxymethyl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(methoxymethyl)-3-(2-methylpropyl)urea
PubChem CID110675890
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name1-(methoxymethyl)-3-(2-methylpropyl)urea
SMILESCOCNC(=O)NCC(C)C
InChIInChI=1S/C7H16N2O2/c1-6(2)4-8-7(10)9-5-11-3/h6H,4-5H2,1-3H3,(H2,8,9,10)
InChIKeyGMEGHQBCCHQBHL-UHFFFAOYSA-N
XLogP0.55
TPSA50.36 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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea
CID 163779477
methyl 2-(methoxymethylcarbamoylamino)acetate
CID 108893664
1-butan-2-yl-3-(methoxymethyl)urea
CID 110675891
1-(2-methylpropyl)-3-prop-2-ynylurea
CID 130662493
1-(2-methylpropyl)-3-(2-oxoethyl)urea
CID 117235660
1-(2-chloroethyl)-3-(2-methylpropyl)urea
CID 13254213
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369
hydron;1-(2-methylpropyl)-3-prop-2-enylurea
CID 174433469
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685
methyl (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoate
CID 97038427
2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 138727149
methyl N-(methoxymethyl)carbamate
CID 12599260

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(methoxymethyl)-3-(2-methylpropyl)urea (CID 110675890) is 1-(methoxymethyl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(methoxymethyl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(methoxymethyl)-3-(2-methylpropyl)urea is COCNC(=O)NCC(C)C.
What is the InChIKey of 1-(methoxymethyl)-3-(2-methylpropyl)urea?
The InChIKey is GMEGHQBCCHQBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(2)4-8-7(10)9-5-11-3/h6H,4-5H2,1-3H3,(H2,8,9,10).
What are the key properties of 1-(methoxymethyl)-3-(2-methylpropyl)urea?
1-(methoxymethyl)-3-(2-methylpropyl)urea has a molecular weight of 160.22 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 110675890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).