1-(furan-2-ylmethyl)-3-propan-2-ylurea

C9H14N2O2 — CID 819269

IUPAC1-(furan-2-ylmethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1ccco1
InChIInChI=1S/C9H14N2O2/c1-7(2)11-9(12)10-6-8-4-3-5-13-8/h3-5,7H,6H2,1-2H3,(H2,10,11,12)
InChIKeyLFVQAVBOBKUPMD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.49
Rot. Bonds3

About 1-(furan-2-ylmethyl)-3-propan-2-ylurea

1-(furan-2-ylmethyl)-3-propan-2-ylurea (PubChem CID 819269) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-propan-2-ylurea
PubChem CID819269
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(furan-2-ylmethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1ccco1
InChIInChI=1S/C9H14N2O2/c1-7(2)11-9(12)10-6-8-4-3-5-13-8/h3-5,7H,6H2,1-2H3,(H2,10,11,12)
InChIKeyLFVQAVBOBKUPMD-UHFFFAOYSA-N
XLogP1.49
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
1-[(E)-2,3-dimethylbut-1-enyl]-3-(furan-2-ylmethyl)urea
CID 108914673
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
N-(furan-2-ylmethyl)acetamide
CID 2394850
(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825520
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
N-(furan-2-ylmethyl)-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111123829
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide
CID 115655784

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-propan-2-ylurea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-propan-2-ylurea (CID 819269) is 1-(furan-2-ylmethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-propan-2-ylurea is CC(C)NC(=O)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-propan-2-ylurea?
The InChIKey is LFVQAVBOBKUPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(2)11-9(12)10-6-8-4-3-5-13-8/h3-5,7H,6H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-(furan-2-ylmethyl)-3-propan-2-ylurea?
1-(furan-2-ylmethyl)-3-propan-2-ylurea has a molecular weight of 182.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-propan-2-ylurea is sourced from PubChem (CID 819269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).