1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C15H21N3O2 — CID 168696325

IUPAC1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)Cc1cccc(CN2CC(C(N)=O)CC2=O)c1
InChIInChI=1S/C15H21N3O2/c1-17(2)8-11-4-3-5-12(6-11)9-18-10-13(15(16)20)7-14(18)19/h3-6,13H,7-10H2,1-2H3,(H2,16,20)
InChIKeyANOLNIWGJOEPSU-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.58
Rot. Bonds5

About 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696325) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168696325
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)Cc1cccc(CN2CC(C(N)=O)CC2=O)c1
InChIInChI=1S/C15H21N3O2/c1-17(2)8-11-4-3-5-12(6-11)9-18-10-13(15(16)20)7-14(18)19/h3-6,13H,7-10H2,1-2H3,(H2,16,20)
InChIKeyANOLNIWGJOEPSU-UHFFFAOYSA-N
XLogP0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697437
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidin-2-one
CID 168702100
5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168696080
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
methyl 1-[(3-aminophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 168694329
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
methyl (3S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 91664291
5-oxo-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168696082
N-[3-[(dimethylamino)methyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 86931938
(3S)-1-(furan-2-ylmethyl)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998484

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 168696325) is 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is CN(C)Cc1cccc(CN2CC(C(N)=O)CC2=O)c1.
What is the InChIKey of 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ANOLNIWGJOEPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17(2)8-11-4-3-5-12(6-11)9-18-10-13(15(16)20)7-14(18)19/h3-6,13H,7-10H2,1-2H3,(H2,16,20).
What are the key properties of 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).