1-[1-(furan-3-yl)propan-2-yl]-3-propylurea

C11H18N2O2 — CID 121127163

IUPAC1-[1-(furan-3-yl)propan-2-yl]-3-propylurea
SMILESCCCNC(=O)NC(C)Cc1ccoc1
InChIInChI=1S/C11H18N2O2/c1-3-5-12-11(14)13-9(2)7-10-4-6-15-8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,12,13,14)
InChIKeyZYIQBCZTTGPHCH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.92
Rot. Bonds5

About 1-[1-(furan-3-yl)propan-2-yl]-3-propylurea

1-[1-(furan-3-yl)propan-2-yl]-3-propylurea (PubChem CID 121127163) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[1-(furan-3-yl)propan-2-yl]-3-propylurea.

Molecular Properties

Compound Name1-[1-(furan-3-yl)propan-2-yl]-3-propylurea
PubChem CID121127163
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[1-(furan-3-yl)propan-2-yl]-3-propylurea
SMILESCCCNC(=O)NC(C)Cc1ccoc1
InChIInChI=1S/C11H18N2O2/c1-3-5-12-11(14)13-9(2)7-10-4-6-15-8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,12,13,14)
InChIKeyZYIQBCZTTGPHCH-UHFFFAOYSA-N
XLogP1.92
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-[1-(furan-3-yl)propan-2-yl]urea
CID 121127180
1-[(2S)-1-(furan-3-yl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 99873238
4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide
CID 121127042
N-[1-(furan-3-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 121126955
5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 97030221
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-phenylbenzamide
CID 99873173
N-[1-(furan-3-yl)propan-2-yl]-2-phenoxyacetamide
CID 121126979
2-benzylsulfanyl-N-[(2R)-1-(furan-3-yl)propan-2-yl]acetamide
CID 99873167
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide
CID 99873162
2-(difluoromethylsulfonyl)-N-[(2S)-1-(furan-3-yl)propan-2-yl]benzamide
CID 99874030
N-[(2S)-1-(furan-3-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 97030226
3-cyclohexyl-N-[1-(furan-3-yl)propan-2-yl]propanamide
CID 121126983

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-3-yl)propan-2-yl]-3-propylurea?
The IUPAC name of 1-[1-(furan-3-yl)propan-2-yl]-3-propylurea (CID 121127163) is 1-[1-(furan-3-yl)propan-2-yl]-3-propylurea.
What is the SMILES notation for 1-[1-(furan-3-yl)propan-2-yl]-3-propylurea?
The canonical SMILES for 1-[1-(furan-3-yl)propan-2-yl]-3-propylurea is CCCNC(=O)NC(C)Cc1ccoc1.
What is the InChIKey of 1-[1-(furan-3-yl)propan-2-yl]-3-propylurea?
The InChIKey is ZYIQBCZTTGPHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-12-11(14)13-9(2)7-10-4-6-15-8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-[1-(furan-3-yl)propan-2-yl]-3-propylurea?
1-[1-(furan-3-yl)propan-2-yl]-3-propylurea has a molecular weight of 210.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-3-yl)propan-2-yl]-3-propylurea is sourced from PubChem (CID 121127163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).