3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide

C17H24N2O2 — CID 39004153

IUPAC3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
SMILESCC(C)(C)CC(=O)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)11-15(20)18-12-13-6-4-7-14(10-13)19-9-5-8-16(19)21/h4,6-7,10H,5,8-9,11-12H2,1-3H3,(H,18,20)
InChIKeyATUUKQGNBBSRNS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.87
Rot. Bonds4

About 3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide

3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide (PubChem CID 39004153) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
PubChem CID39004153
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
SMILESCC(C)(C)CC(=O)NCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)11-15(20)18-12-13-6-4-7-14(10-13)19-9-5-8-16(19)21/h4,6-7,10H,5,8-9,11-12H2,1-3H3,(H,18,20)
InChIKeyATUUKQGNBBSRNS-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 120560369
2-(4-tert-butylphenoxy)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39517699
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
2-[(3-methylphenyl)methylsulfanyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39003307
4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride
CID 120588846
2-(4-methyl-2-oxo-1-pyridinyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 75381787
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 39002604
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 120609078
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide (CID 39004153) is 3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide is CC(C)(C)CC(=O)NCc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide?
The InChIKey is ATUUKQGNBBSRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,3)11-15(20)18-12-13-6-4-7-14(10-13)19-9-5-8-16(19)21/h4,6-7,10H,5,8-9,11-12H2,1-3H3,(H,18,20).
What are the key properties of 3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide?
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 39004153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).