3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

C23H36N2O3 — CID 3736654

IUPAC3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCCCN(CCCCC)C1CC(=O)N(c2ccc(OCCC)cc2)C1=O
InChIInChI=1S/C23H36N2O3/c1-4-7-9-15-24(16-10-8-5-2)21-18-22(26)25(23(21)27)19-11-13-20(14-12-19)28-17-6-3/h11-14,21H,4-10,15-18H2,1-3H3
InChIKeyNFUXTIHBFFHFGD-UHFFFAOYSA-N
MW388.55 g/mol
LogP4.79
Rot. Bonds13

About 3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 3736654) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is 3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID3736654
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Name3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCCCN(CCCCC)C1CC(=O)N(c2ccc(OCCC)cc2)C1=O
InChIInChI=1S/C23H36N2O3/c1-4-7-9-15-24(16-10-8-5-2)21-18-22(26)25(23(21)27)19-11-13-20(14-12-19)28-17-6-3/h11-14,21H,4-10,15-18H2,1-3H3
InChIKeyNFUXTIHBFFHFGD-UHFFFAOYSA-N
XLogP4.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
CID 662103
3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2927404
(3R)-3-[4-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7986469
3-[3-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]propylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 4302030
(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 1022325
(3S)-3-(cyclopropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 92693012
1-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-methyl-1-(2-phenylethyl)thiourea
CID 98370570
N-[2-(1-adamantyloxy)ethyl]-N-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]acetamide
CID 51399934
(3R)-3-(4-ethylpiperazine-1,4-diium-1-yl)-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione
CID 7377861
1-[1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]-3-methylthiourea
CID 5140651
(E)-4-[[(3R)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)amino]-4-oxobut-2-enoic acid
CID 40785418
2-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]sulfanylacetic acid
CID 2053267

Frequently Asked Questions

What is the IUPAC name of 3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (CID 3736654) is 3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is CCCCCN(CCCCC)C1CC(=O)N(c2ccc(OCCC)cc2)C1=O.
What is the InChIKey of 3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is NFUXTIHBFFHFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-4-7-9-15-24(16-10-8-5-2)21-18-22(26)25(23(21)27)19-11-13-20(14-12-19)28-17-6-3/h11-14,21H,4-10,15-18H2,1-3H3.
What are the key properties of 3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 388.55 g/mol, XLogP of 4.79, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3736654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).