2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide

C16H24N2O2 — CID 114760433

IUPAC2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)CC2(O)CCNC2)cc1C
InChIInChI=1S/C16H24N2O2/c1-12-4-5-14(8-13(12)2)9-15(19)18(3)11-16(20)6-7-17-10-16/h4-5,8,17,20H,6-7,9-11H2,1-3H3
InChIKeyGUUIIBZMPUAYQB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.03
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide

2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide (PubChem CID 114760433) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
PubChem CID114760433
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)CC2(O)CCNC2)cc1C
InChIInChI=1S/C16H24N2O2/c1-12-4-5-14(8-13(12)2)9-15(19)18(3)11-16(20)6-7-17-10-16/h4-5,8,17,20H,6-7,9-11H2,1-3H3
InChIKeyGUUIIBZMPUAYQB-UHFFFAOYSA-N
XLogP1.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
CID 114760166
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide
CID 114760455
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 115759889
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 114760467
4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide
CID 107671368
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methoxy-N,5-dimethylbenzamide
CID 114760445
2-(3,4-dimethylphenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 62537495
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-propan-2-ylbenzamide
CID 114760168
3,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 114760212
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide
CID 114873917
3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide
CID 114760478
2-chloro-5-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 106500908

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide (CID 114760433) is 2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide is Cc1ccc(CC(=O)N(C)CC2(O)CCNC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide?
The InChIKey is GUUIIBZMPUAYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-5-14(8-13(12)2)9-15(19)18(3)11-16(20)6-7-17-10-16/h4-5,8,17,20H,6-7,9-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide?
2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 114760433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).