N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide

C20H37N3O2 — CID 46999061

IUPACN-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide
SMILESCCN(CC)C1CCN(C(=O)CCC(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C20H37N3O2/c1-3-22(4-2)18-14-15-23(16-18)20(25)13-12-19(24)21-17-10-8-6-5-7-9-11-17/h17-18H,3-16H2,1-2H3,(H,21,24)
InChIKeyUYHDSVJUUPPGJO-UHFFFAOYSA-N
MW351.54 g/mol
LogP2.94
Rot. Bonds7

About N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide

N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide (PubChem CID 46999061) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide
PubChem CID46999061
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC NameN-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide
SMILESCCN(CC)C1CCN(C(=O)CCC(=O)NC2CCCCCCC2)C1
InChIInChI=1S/C20H37N3O2/c1-3-22(4-2)18-14-15-23(16-18)20(25)13-12-19(24)21-17-10-8-6-5-7-9-11-17/h17-18H,3-16H2,1-2H3,(H,21,24)
InChIKeyUYHDSVJUUPPGJO-UHFFFAOYSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diamino-N-dodecylbutanamide
CID 10779524
(2S)-2,4-diamino-N-tetradecylbutanamide
CID 127038932
(2S)-N-[4-(dodecylamino)-4-oxobutyl]pyrrolidine-2-carboxamide
CID 67813298
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 44374571
N-[3-(2,6-diethylpiperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374746
Butanediamide, 2-amino-N,N'-diheptyl-N,N'-dimethyl-, (s)-
CID 22294490
2-amino-N,N'-diheptyl-N,N'-dimethylbutanediamide
CID 607901
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide
CID 46994709
1-cyclooctyl-3-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 94648660
(3S)-1-[2-(cyclooctylamino)-2-oxoethyl]-N-ethylpyrrolidine-3-carboxamide
CID 164642176
1-Octyl-3-(octylamino)pyrrolidine-2,5-dione
CID 512833

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide?
The IUPAC name of N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide (CID 46999061) is N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide is CCN(CC)C1CCN(C(=O)CCC(=O)NC2CCCCCCC2)C1.
What is the InChIKey of N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide?
The InChIKey is UYHDSVJUUPPGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-3-22(4-2)18-14-15-23(16-18)20(25)13-12-19(24)21-17-10-8-6-5-7-9-11-17/h17-18H,3-16H2,1-2H3,(H,21,24).
What are the key properties of N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide?
N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide has a molecular weight of 351.54 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 46999061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).