1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide

C22H35N3O2 — CID 112823538

IUPAC1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCN1C(=O)c1ccccc1)CC(C)C
InChIInChI=1S/C22H35N3O2/c1-5-24(6-2)19(15-17(3)4)16-23-21(26)20-13-10-14-25(20)22(27)18-11-8-7-9-12-18/h7-9,11-12,17,19-20H,5-6,10,13-16H2,1-4H3,(H,23,26)
InChIKeyXDIPXPRERVYHHG-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.16
Rot. Bonds9

About 1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide

1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide (PubChem CID 112823538) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
PubChem CID112823538
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCN1C(=O)c1ccccc1)CC(C)C
InChIInChI=1S/C22H35N3O2/c1-5-24(6-2)19(15-17(3)4)16-23-21(26)20-13-10-14-25(20)22(27)18-11-8-7-9-12-18/h7-9,11-12,17,19-20H,5-6,10,13-16H2,1-4H3,(H,23,26)
InChIKeyXDIPXPRERVYHHG-UHFFFAOYSA-N
XLogP3.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrrolidine-2-carboxamide
CID 112813754
(2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 101140521
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
CID 119529228
1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide
CID 112813971
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 112821500
(2S)-1-benzoyl-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 139809503
N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119643109
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 112827008
(2S)-1-[3-(benzenesulfonamido)benzoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 92728331

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide (CID 112823538) is 1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide is CCN(CC)C(CNC(=O)C1CCCN1C(=O)c1ccccc1)CC(C)C.
What is the InChIKey of 1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide?
The InChIKey is XDIPXPRERVYHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-5-24(6-2)19(15-17(3)4)16-23-21(26)20-13-10-14-25(20)22(27)18-11-8-7-9-12-18/h7-9,11-12,17,19-20H,5-6,10,13-16H2,1-4H3,(H,23,26).
What are the key properties of 1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide?
1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 112823538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).