1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea

C19H29N3O2 — CID 97078813

IUPAC1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea
SMILESO=C(NC[C@H]1CCN(C2CC2)C1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C19H29N3O2/c23-19(20-12-15-9-10-21(13-15)16-7-8-16)22(17-4-1-2-5-17)14-18-6-3-11-24-18/h3,6,11,15-17H,1-2,4-5,7-10,12-14H2,(H,20,23)/t15-/m1/s1
InChIKeyPAIXQPIIVLUVQR-OAHLLOKOSA-N
MW331.46 g/mol
LogP3.22
Rot. Bonds6

About 1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea

1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea (PubChem CID 97078813) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea
PubChem CID97078813
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea
SMILESO=C(NC[C@H]1CCN(C2CC2)C1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C19H29N3O2/c23-19(20-12-15-9-10-21(13-15)16-7-8-16)22(17-4-1-2-5-17)14-18-6-3-11-24-18/h3,6,11,15-17H,1-2,4-5,7-10,12-14H2,(H,20,23)/t15-/m1/s1
InChIKeyPAIXQPIIVLUVQR-OAHLLOKOSA-N
XLogP3.22
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-1-(furan-2-ylmethyl)urea
CID 51084236
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)azepane-1-carboxamide
CID 71930413
(2S)-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(furan-2-yl)azepane-1-carboxamide
CID 97078797
1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97221526
1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95151771
(2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97320650
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 60738196
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
1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea
CID 71865742
2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65222818
N-cyclopentyl-2,2-difluoro-N-(furan-2-ylmethyl)acetamide
CID 103514769
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea?
The IUPAC name of 1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea (CID 97078813) is 1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea is O=C(NC[C@H]1CCN(C2CC2)C1)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea?
The InChIKey is PAIXQPIIVLUVQR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(20-12-15-9-10-21(13-15)16-7-8-16)22(17-4-1-2-5-17)14-18-6-3-11-24-18/h3,6,11,15-17H,1-2,4-5,7-10,12-14H2,(H,20,23)/t15-/m1/s1.
What are the key properties of 1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea?
1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea has a molecular weight of 331.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 97078813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).