1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea

C19H19N3O2 — CID 95312794

IUPAC1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
SMILESO=C(NCCc1ccco1)N[C@H](c1ccccc1)c1ccncc1
InChIInChI=1S/C19H19N3O2/c23-19(21-13-10-17-7-4-14-24-17)22-18(15-5-2-1-3-6-15)16-8-11-20-12-9-16/h1-9,11-12,14,18H,10,13H2,(H2,21,22,23)/t18-/m1/s1
InChIKeyPJOXGRODOHIGIL-GOSISDBHSA-N
MW321.38 g/mol
LogP3.31
Rot. Bonds6

About 1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea

1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea (PubChem CID 95312794) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
PubChem CID95312794
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
SMILESO=C(NCCc1ccco1)N[C@H](c1ccccc1)c1ccncc1
InChIInChI=1S/C19H19N3O2/c23-19(21-13-10-17-7-4-14-24-17)22-18(15-5-2-1-3-6-15)16-8-11-20-12-9-16/h1-9,11-12,14,18H,10,13H2,(H2,21,22,23)/t18-/m1/s1
InChIKeyPJOXGRODOHIGIL-GOSISDBHSA-N
XLogP3.31
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea
CID 95318328
2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61471341
1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea
CID 71787781
1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea
CID 91813352
1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea
CID 71798567
(2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63716616
1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
CID 24847582
N-[2-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43515507
3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34761975
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
3-(furan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008392
1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea (CID 95312794) is 1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea is O=C(NCCc1ccco1)N[C@H](c1ccccc1)c1ccncc1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea?
The InChIKey is PJOXGRODOHIGIL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(21-13-10-17-7-4-14-24-17)22-18(15-5-2-1-3-6-15)16-8-11-20-12-9-16/h1-9,11-12,14,18H,10,13H2,(H2,21,22,23)/t18-/m1/s1.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea?
1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea has a molecular weight of 321.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea is sourced from PubChem (CID 95312794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).