3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea

C15H18N2O2 — CID 51729179

IUPAC3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
SMILESC[C@@H](c1ccccc1)N(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H18N2O2/c1-12(13-7-4-3-5-8-13)17(2)15(18)16-11-14-9-6-10-19-14/h3-10,12H,11H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyLDXUDDNYQQPIHT-LBPRGKRZSA-N
MW258.32 g/mol
LogP3.18
Rot. Bonds4

About 3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea

3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea (PubChem CID 51729179) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
PubChem CID51729179
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
SMILESC[C@@H](c1ccccc1)N(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H18N2O2/c1-12(13-7-4-3-5-8-13)17(2)15(18)16-11-14-9-6-10-19-14/h3-10,12H,11H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyLDXUDDNYQQPIHT-LBPRGKRZSA-N
XLogP3.18
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-2-ylmethyl)-1-methyl-1-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea
CID 99804013
1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
CID 86914055
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139093
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
3-butyl-1-methyl-1-(1-phenylethyl)urea
CID 102439407
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-3-[(2-methylphenyl)carbamoyl-(1-phenylethyl)amino]propanamide
CID 42703658
2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide
CID 43458642
2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 133148522
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea?
The IUPAC name of 3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea (CID 51729179) is 3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea is C[C@@H](c1ccccc1)N(C)C(=O)NCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea?
The InChIKey is LDXUDDNYQQPIHT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-12(13-7-4-3-5-8-13)17(2)15(18)16-11-14-9-6-10-19-14/h3-10,12H,11H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of 3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea?
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea has a molecular weight of 258.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 51729179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).