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

C19H25N3O2 — CID 124627279

IUPAC1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea
SMILESCc1ccc(CN(C)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)o1
InChIInChI=1S/C19H25N3O2/c1-14-9-10-16(24-14)13-22(3)19(23)20-17-11-12-21(2)18(17)15-7-5-4-6-8-15/h4-10,17-18H,11-13H2,1-3H3,(H,20,23)/t17-,18+/m0/s1
InChIKeyLNPLLNKBFIMCCM-ZWKOTPCHSA-N
MW327.43 g/mol
LogP3.17
Rot. Bonds4

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

1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea (PubChem CID 124627279) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea
PubChem CID124627279
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea
SMILESCc1ccc(CN(C)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)o1
InChIInChI=1S/C19H25N3O2/c1-14-9-10-16(24-14)13-22(3)19(23)20-17-11-12-21(2)18(17)15-7-5-4-6-8-15/h4-10,17-18H,11-13H2,1-3H3,(H,20,23)/t17-,18+/m0/s1
InChIKeyLNPLLNKBFIMCCM-ZWKOTPCHSA-N
XLogP3.17
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea (CID 124627279) is 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea is Cc1ccc(CN(C)C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)o1.
What is the InChIKey of 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea?
The InChIKey is LNPLLNKBFIMCCM-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-9-10-16(24-14)13-22(3)19(23)20-17-11-12-21(2)18(17)15-7-5-4-6-8-15/h4-10,17-18H,11-13H2,1-3H3,(H,20,23)/t17-,18+/m0/s1.
What are the key properties of 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea?
1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea has a molecular weight of 327.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[(2R,3S)-1-methyl-2-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 124627279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).