1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea

C21H29N3O3 — CID 95151771

IUPAC1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C21H29N3O3/c25-21(24(17-7-1-2-8-17)16-18-9-5-13-26-18)22-15-19(20-10-6-14-27-20)23-11-3-4-12-23/h5-6,9-10,13-14,17,19H,1-4,7-8,11-12,15-16H2,(H,22,25)/t19-/m1/s1
InChIKeyIUBRWGKVHFXVGF-LJQANCHMSA-N
MW371.48 g/mol
LogP4.16
Rot. Bonds7

About 1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea

1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea (PubChem CID 95151771) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
PubChem CID95151771
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C21H29N3O3/c25-21(24(17-7-1-2-8-17)16-18-9-5-13-26-18)22-15-19(20-10-6-14-27-20)23-11-3-4-12-23/h5-6,9-10,13-14,17,19H,1-4,7-8,11-12,15-16H2,(H,22,25)/t19-/m1/s1
InChIKeyIUBRWGKVHFXVGF-LJQANCHMSA-N
XLogP4.16
TPSA61.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471
2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65222818
1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea
CID 97078813
1-cyclopentyl-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(furan-2-ylmethyl)urea
CID 71972710
4-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164796
4-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 94164797
3-cyclopentylsulfonyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide
CID 51953240
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
CID 51162652

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?
The IUPAC name of 1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea (CID 95151771) is 1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea.
What is the SMILES notation for 1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?
The canonical SMILES for 1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea is O=C(NC[C@H](c1ccco1)N1CCCC1)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?
The InChIKey is IUBRWGKVHFXVGF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-21(24(17-7-1-2-8-17)16-18-9-5-13-26-18)22-15-19(20-10-6-14-27-20)23-11-3-4-12-23/h5-6,9-10,13-14,17,19H,1-4,7-8,11-12,15-16H2,(H,22,25)/t19-/m1/s1.
What are the key properties of 1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea?
1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea has a molecular weight of 371.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea is sourced from PubChem (CID 95151771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).