1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea

C21H34N4O3 — CID 43969867

IUPAC1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCN(CC)CCCC(C)NC(=O)NC1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C21H34N4O3/c1-5-24(6-2)13-7-8-16(3)22-21(27)23-17-14-20(26)25(15-17)18-9-11-19(28-4)12-10-18/h9-12,16-17H,5-8,13-15H2,1-4H3,(H2,22,23,27)
InChIKeyOSEJNJNIXQLKJO-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.61
Rot. Bonds10

About 1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea

1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 43969867) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID43969867
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCCN(CC)CCCC(C)NC(=O)NC1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C21H34N4O3/c1-5-24(6-2)13-7-8-16(3)22-21(27)23-17-14-20(26)25(15-17)18-9-11-19(28-4)12-10-18/h9-12,16-17H,5-8,13-15H2,1-4H3,(H2,22,23,27)
InChIKeyOSEJNJNIXQLKJO-UHFFFAOYSA-N
XLogP2.61
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546039
diethyl-[(4R)-4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]azanium
CID 7545103
1-[(2R)-5-(diethylamino)pentan-2-yl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543222
1-ethyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244162
1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572695
1-[(2S)-butan-2-yl]-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545865
[(4R)-4-[[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]pentyl]-diethylazanium
CID 7546029
1-[3-(dimethylamino)propyl]-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545082
1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7544783
1-butan-2-yl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970288
1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(3-methoxypropyl)urea
CID 7544981
1-[2-(4-methoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564273

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea (CID 43969867) is 1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea is CCN(CC)CCCC(C)NC(=O)NC1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is OSEJNJNIXQLKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-5-24(6-2)13-7-8-16(3)22-21(27)23-17-14-20(26)25(15-17)18-9-11-19(28-4)12-10-18/h9-12,16-17H,5-8,13-15H2,1-4H3,(H2,22,23,27).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea?
1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 390.53 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 43969867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).