(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide

C18H26N2O2 — CID 93017351

IUPAC(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c1-3-10-19(11-4-2)18(22)16-12-17(21)20(14-16)13-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3/t16-/m1/s1
InChIKeyBFKPIOLWBWLFGY-MRXNPFEDSA-N
MW302.42 g/mol
LogP2.68
Rot. Bonds7

About (3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide

(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide (PubChem CID 93017351) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
PubChem CID93017351
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c1-3-10-19(11-4-2)18(22)16-12-17(21)20(14-16)13-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3/t16-/m1/s1
InChIKeyBFKPIOLWBWLFGY-MRXNPFEDSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
CID 108876584
N,1-dibenzyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 75981218
N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185676
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 113184536
1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea
CID 75398712
N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183425
N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 75807645
(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070
1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 17081991
1-benzyl-N-[2-(diethylcarbamoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572365
1-benzyl-5-oxo-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78792740
1-[(4-methylphenyl)methyl]-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
CID 78784451

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide (CID 93017351) is (3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide is CCCN(CCC)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
The InChIKey is BFKPIOLWBWLFGY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-10-19(11-4-2)18(22)16-12-17(21)20(14-16)13-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide?
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide is sourced from PubChem (CID 93017351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).