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

C10H16N2O2 — CID 110748894

IUPAC1-[1-(furan-2-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NC(C)c1ccco1
InChIInChI=1S/C10H16N2O2/c1-3-6-11-10(13)12-8(2)9-5-4-7-14-9/h4-5,7-8H,3,6H2,1-2H3,(H2,11,12,13)
InChIKeyAKLPNQJUEIFBBI-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.05
Rot. Bonds4

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

1-[1-(furan-2-yl)ethyl]-3-propylurea (PubChem CID 110748894) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]-3-propylurea
PubChem CID110748894
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[1-(furan-2-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NC(C)c1ccco1
InChIInChI=1S/C10H16N2O2/c1-3-6-11-10(13)12-8(2)9-5-4-7-14-9/h4-5,7-8H,3,6H2,1-2H3,(H2,11,12,13)
InChIKeyAKLPNQJUEIFBBI-UHFFFAOYSA-N
XLogP2.05
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-[1-(furan-2-yl)ethyl]urea
CID 47113388
4-[1-(furan-2-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 80540877
2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79464025
3-[1-(furan-2-yl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428423
1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea
CID 86849465
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392
1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]-3-propylurea?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]-3-propylurea (CID 110748894) is 1-[1-(furan-2-yl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]-3-propylurea?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]-3-propylurea is CCCNC(=O)NC(C)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]-3-propylurea?
The InChIKey is AKLPNQJUEIFBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-6-11-10(13)12-8(2)9-5-4-7-14-9/h4-5,7-8H,3,6H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-[1-(furan-2-yl)ethyl]-3-propylurea?
1-[1-(furan-2-yl)ethyl]-3-propylurea has a molecular weight of 196.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]-3-propylurea is sourced from PubChem (CID 110748894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).