1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide

C17H26N2O — CID 18723473

IUPAC1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(Cc2ccccc2)CC1C
InChIInChI=1S/C17H26N2O/c1-4-19(5-2)17(20)16-13-18(11-14(16)3)12-15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3
InChIKeyDMIJTRJBQKFZNV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.62
Rot. Bonds5

About 1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide

1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide (PubChem CID 18723473) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide
PubChem CID18723473
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(Cc2ccccc2)CC1C
InChIInChI=1S/C17H26N2O/c1-4-19(5-2)17(20)16-13-18(11-14(16)3)12-15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3
InChIKeyDMIJTRJBQKFZNV-UHFFFAOYSA-N
XLogP2.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
benzyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 86678243
1-benzyl-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 23062043
N'-amino-1-benzyl-4-methylpyrrolidine-3-carboximidamide
CID 87170150
(3S,4S)-N'-amino-1-benzyl-4-methylpyrrolidine-3-carboximidamide
CID 66828753
(1-benzyl-4-methylpyrrolidin-3-yl)-(4-methoxypiperazin-1-yl)methanone
CID 166256709
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid
CID 83851265
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid;ethane;iodoethane
CID 123682469
(3R,4R)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977426
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977345

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide (CID 18723473) is 1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide is CCN(CC)C(=O)C1CN(Cc2ccccc2)CC1C.
What is the InChIKey of 1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide?
The InChIKey is DMIJTRJBQKFZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-19(5-2)17(20)16-13-18(11-14(16)3)12-15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3.
What are the key properties of 1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide?
1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-diethyl-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 18723473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).