1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea

C13H14N2O2 — CID 51473392

IUPAC1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
SMILESC[C@H](NC(=O)Nc1ccccc1)c1ccco1
InChIInChI=1S/C13H14N2O2/c1-10(12-8-5-9-17-12)14-13(16)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,14,15,16)/t10-/m0/s1
InChIKeyJZALKEVQUJFCHV-JTQLQIEISA-N
MW230.27 g/mol
LogP3.16
Rot. Bonds3

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

1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea (PubChem CID 51473392) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
PubChem CID51473392
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
SMILESC[C@H](NC(=O)Nc1ccccc1)c1ccco1
InChIInChI=1S/C13H14N2O2/c1-10(12-8-5-9-17-12)14-13(16)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,14,15,16)/t10-/m0/s1
InChIKeyJZALKEVQUJFCHV-JTQLQIEISA-N
XLogP3.16
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393
4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61199818
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61197379
3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid
CID 61197373
1-[1-(furan-2-yl)ethyl]-3-propylurea
CID 110748894
4-N-[1-(furan-2-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 47008803
1-(1,3-benzothiazol-2-yl)-3-[1-(furan-2-yl)ethyl]urea
CID 17456971
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81399827
2-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81400828
3-[1-(furan-2-yl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428423

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea (CID 51473392) is 1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea is C[C@H](NC(=O)Nc1ccccc1)c1ccco1.
What is the InChIKey of 1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea?
The InChIKey is JZALKEVQUJFCHV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10(12-8-5-9-17-12)14-13(16)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,14,15,16)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea?
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea has a molecular weight of 230.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 51473392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).