1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C19H23N3O4 — CID 3230264

IUPAC1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccco1
InChIInChI=1S/C19H23N3O4/c1-2-25-17-10-4-3-8-15(17)21-19(24)22-11-5-9-16(22)18(23)20-13-14-7-6-12-26-14/h3-4,6-8,10,12,16H,2,5,9,11,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyBMUPQCWFJWOETA-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.99
Rot. Bonds6

About 1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230264) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230264
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccco1
InChIInChI=1S/C19H23N3O4/c1-2-25-17-10-4-3-8-15(17)21-19(24)22-11-5-9-16(22)18(23)20-13-14-7-6-12-26-14/h3-4,6-8,10,12,16H,2,5,9,11,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyBMUPQCWFJWOETA-UHFFFAOYSA-N
XLogP2.99
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)furan-2-carboxamide
CID 21428857
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
1-(Furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71273628
1-(2-Furoyl)-4-(2-methoxyphenyl)piperazine
CID 595810
1-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 2955360
N-(2-furylmethyl)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2981070
2-(Furan-2-yl)-1,3-dimethyl-2,3-dihydro-1H-benzo[d]imidazole
CID 816799
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 3127685
(E)-3-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide;oxalic acid
CID 44350586
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
CID 44585363
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-furamide
CID 842983

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 3230264) is 1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is CCOc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccco1.
What is the InChIKey of 1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is BMUPQCWFJWOETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-2-25-17-10-4-3-8-15(17)21-19(24)22-11-5-9-16(22)18(23)20-13-14-7-6-12-26-14/h3-4,6-8,10,12,16H,2,5,9,11,13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).