N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide

C16H25N3O2 — CID 62274448

IUPACN-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
SMILESCC(C(=O)NCc1ccco1)N1CCCC1C1CCCN1
InChIInChI=1S/C16H25N3O2/c1-12(16(20)18-11-13-5-4-10-21-13)19-9-3-7-15(19)14-6-2-8-17-14/h4-5,10,12,14-15,17H,2-3,6-9,11H2,1H3,(H,18,20)
InChIKeyIJQPCBRQQJEYDF-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.50
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide

N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide (PubChem CID 62274448) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
PubChem CID62274448
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
SMILESCC(C(=O)NCc1ccco1)N1CCCC1C1CCCN1
InChIInChI=1S/C16H25N3O2/c1-12(16(20)18-11-13-5-4-10-21-13)19-9-3-7-15(19)14-6-2-8-17-14/h4-5,10,12,14-15,17H,2-3,6-9,11H2,1H3,(H,18,20)
InChIKeyIJQPCBRQQJEYDF-UHFFFAOYSA-N
XLogP1.50
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine
CID 55180167
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62026904
1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid
CID 107072033
1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpiperidine
CID 63256708
N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62275284
N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide
CID 62671401
(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95611636
(2S)-N-(furan-2-ylmethyl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95313988
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63257535
2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 106599799
2-(3-formylpiperidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 62656030
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide (CID 62274448) is N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide is CC(C(=O)NCc1ccco1)N1CCCC1C1CCCN1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
The InChIKey is IJQPCBRQQJEYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(16(20)18-11-13-5-4-10-21-13)19-9-3-7-15(19)14-6-2-8-17-14/h4-5,10,12,14-15,17H,2-3,6-9,11H2,1H3,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide?
N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 62274448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).