[4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone

C16H24N2O — CID 110744503

IUPAC[4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)15-6-5-11-18(15)16(19)13-7-9-14(10-8-13)17(3)4/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyJBDYTRIWKVEDKD-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.01
Rot. Bonds3

About [4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone

[4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 110744503) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID110744503
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)15-6-5-11-18(15)16(19)13-7-9-14(10-8-13)17(3)4/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyJBDYTRIWKVEDKD-UHFFFAOYSA-N
XLogP3.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 15320435
[2-(4-chlorophenyl)pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 42953210
[2-(bromomethyl)azepan-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 116639422
1-[(3aS,9aR)-4-[4-(dimethylamino)benzoyl]-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-1-yl]ethanone
CID 110136247
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
N,N-dimethyl-2-propan-2-ylpyrrolidine-1-carboxamide
CID 115593303
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
(2-bromo-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 103754939
[4-(2-methylsulfanylimidazol-1-yl)phenyl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 97201601
[2-(1-aminoethyl)piperidin-1-yl]-[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methanone;dihydrochloride
CID 119437836
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
(2S)-N-(2,2-difluoroethyl)-1-[4-(dimethylamino)benzoyl]piperidine-2-carboxamide
CID 138017230

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone (CID 110744503) is [4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CCCN1C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is JBDYTRIWKVEDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)15-6-5-11-18(15)16(19)13-7-9-14(10-8-13)17(3)4/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of [4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone?
[4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 260.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110744503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).