[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

C24H29N3O6 — CID 55936791

IUPAC[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C24H29N3O6/c1-3-12-26(15-21(28)25-18-9-5-4-8-17(18)2)22(29)16-33-24(31)19-10-6-13-27(19)23(30)20-11-7-14-32-20/h4-5,7-9,11,14,19H,3,6,10,12-13,15-16H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyNCCQFABTFWNJMW-IBGZPJMESA-N
MW455.51 g/mol
LogP2.61
Rot. Bonds9

About [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 55936791) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID55936791
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C24H29N3O6/c1-3-12-26(15-21(28)25-18-9-5-4-8-17(18)2)22(29)16-33-24(31)19-10-6-13-27(19)23(30)20-11-7-14-32-20/h4-5,7-9,11,14,19H,3,6,10,12-13,15-16H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyNCCQFABTFWNJMW-IBGZPJMESA-N
XLogP2.61
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944586
[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55943784
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368985
undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 91724066
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368689
[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368916
N-ethyl-1-(furan-2-carbonyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-2-carboxamide
CID 55965355
3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944214
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944359
[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55943703
[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368981
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55935306

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (CID 55936791) is [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is NCCQFABTFWNJMW-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29N3O6/c1-3-12-26(15-21(28)25-18-9-5-4-8-17(18)2)22(29)16-33-24(31)19-10-6-13-27(19)23(30)20-11-7-14-32-20/h4-5,7-9,11,14,19H,3,6,10,12-13,15-16H2,1-2H3,(H,25,28)/t19-/m0/s1.
What are the key properties of [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 455.51 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55936791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).