N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide

C15H22N2O2 — CID 114760455

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC2(O)CCNC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-11-4-5-13(8-12(11)2)14(18)17(3)10-15(19)6-7-16-9-15/h4-5,8,16,19H,6-7,9-10H2,1-3H3
InChIKeyYKDXPLSZHYGDBT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.10
Rot. Bonds3

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide (PubChem CID 114760455) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide
PubChem CID114760455
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC2(O)CCNC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-11-4-5-13(8-12(11)2)14(18)17(3)10-15(19)6-7-16-9-15/h4-5,8,16,19H,6-7,9-10H2,1-3H3
InChIKeyYKDXPLSZHYGDBT-UHFFFAOYSA-N
XLogP1.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 114760467
3,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 114760212
3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide
CID 114760478
4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide
CID 107671368
2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
CID 114760433
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-propan-2-ylbenzamide
CID 114760168
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide
CID 114760357
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methoxy-N,5-dimethylbenzamide
CID 114760445
2-chloro-5-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 106500908
2-fluoro-4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 107675691
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide
CID 114760377
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide
CID 114946931

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide (CID 114760455) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)CC2(O)CCNC2)cc1C.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide?
The InChIKey is YKDXPLSZHYGDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-5-13(8-12(11)2)14(18)17(3)10-15(19)6-7-16-9-15/h4-5,8,16,19H,6-7,9-10H2,1-3H3.
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide is sourced from PubChem (CID 114760455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).