[1-(carbamoylamino)-2-methylpropyl]urea

C6H14N4O2 — CID 22478

IUPAC[1-(carbamoylamino)-2-methylpropyl]urea
SMILESCC(C)C(NC(N)=O)NC(N)=O
InChIInChI=1S/C6H14N4O2/c1-3(2)4(9-5(7)11)10-6(8)12/h3-4H,1-2H3,(H3,7,9,11)(H3,8,10,12)
InChIKeyQFHMNFAUXJAINK-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.69
Rot. Bonds3

About [1-(carbamoylamino)-2-methylpropyl]urea

[1-(carbamoylamino)-2-methylpropyl]urea (PubChem CID 22478) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is [1-(carbamoylamino)-2-methylpropyl]urea.

Molecular Properties

Compound Name[1-(carbamoylamino)-2-methylpropyl]urea
PubChem CID22478
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name[1-(carbamoylamino)-2-methylpropyl]urea
SMILESCC(C)C(NC(N)=O)NC(N)=O
InChIInChI=1S/C6H14N4O2/c1-3(2)4(9-5(7)11)10-6(8)12/h3-4H,1-2H3,(H3,7,9,11)(H3,8,10,12)
InChIKeyQFHMNFAUXJAINK-UHFFFAOYSA-N
XLogP-0.69
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
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

N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
1-sulfanylpropan-2-ylurea
CID 89224596
[(2R)-1-(carbamoylamino)propan-2-yl]urea
CID 3246036
[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea
CID 91973991
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980
1-(dimethylamino)ethylurea
CID 169101887
2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65312871
(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
CID 35138595
(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide
CID 130628762
1-(carbamoylamino)ethanesulfinic acid
CID 141204659
(2-methylpropylamino)urea
CID 55285405

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-2-methylpropyl]urea?
The IUPAC name of [1-(carbamoylamino)-2-methylpropyl]urea (CID 22478) is [1-(carbamoylamino)-2-methylpropyl]urea.
What is the SMILES notation for [1-(carbamoylamino)-2-methylpropyl]urea?
The canonical SMILES for [1-(carbamoylamino)-2-methylpropyl]urea is CC(C)C(NC(N)=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-2-methylpropyl]urea?
The InChIKey is QFHMNFAUXJAINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2/c1-3(2)4(9-5(7)11)10-6(8)12/h3-4H,1-2H3,(H3,7,9,11)(H3,8,10,12).
What are the key properties of [1-(carbamoylamino)-2-methylpropyl]urea?
[1-(carbamoylamino)-2-methylpropyl]urea has a molecular weight of 174.20 g/mol, XLogP of -0.69, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-2-methylpropyl]urea is sourced from PubChem (CID 22478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).