1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea

C19H25N3O3 — CID 97091397

IUPAC1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea
SMILESCOC[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1)c1ccco1
InChIInChI=1S/C19H25N3O3/c1-14-11-15(12-22(14)16-7-4-3-5-8-16)20-19(23)21-17(13-24-2)18-9-6-10-25-18/h3-10,14-15,17H,11-13H2,1-2H3,(H2,20,21,23)/t14-,15-,17+/m1/s1
InChIKeyMVVYXBIZVZQRDK-INMHGKMJSA-N
MW343.43 g/mol
LogP2.93
Rot. Bonds6

About 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea

1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea (PubChem CID 97091397) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea
PubChem CID97091397
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea
SMILESCOC[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1)c1ccco1
InChIInChI=1S/C19H25N3O3/c1-14-11-15(12-22(14)16-7-4-3-5-8-16)20-19(23)21-17(13-24-2)18-9-6-10-25-18/h3-10,14-15,17H,11-13H2,1-2H3,(H2,20,21,23)/t14-,15-,17+/m1/s1
InChIKeyMVVYXBIZVZQRDK-INMHGKMJSA-N
XLogP2.93
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4-hydroxycyclohexyl)urea
CID 111566418
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CID 97024875
1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 97024874
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(1R)-1-(furan-2-yl)-2-methoxyethyl]amino]ethanone
CID 98888715
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111566530
1-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 96999591
1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 96999589
1-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-[(1S)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 97219941
1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 71865843
1-N-methyl-1-N'-[(3S,5S)-5-methyl-1-phenylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide
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(6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea (CID 97091397) is 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea is COC[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1)c1ccco1.
What is the InChIKey of 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is MVVYXBIZVZQRDK-INMHGKMJSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-11-15(12-22(14)16-7-4-3-5-8-16)20-19(23)21-17(13-24-2)18-9-6-10-25-18/h3-10,14-15,17H,11-13H2,1-2H3,(H2,20,21,23)/t14-,15-,17+/m1/s1.
What are the key properties of 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea?
1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 343.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 97091397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).