N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide

C15H22N2O4 — CID 114760377

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CC2(O)CCNC2)c1OC
InChIInChI=1S/C15H22N2O4/c1-17(10-15(19)7-8-16-9-15)14(18)11-5-4-6-12(20-2)13(11)21-3/h4-6,16,19H,7-10H2,1-3H3
InChIKeyZLYJDXVBWQRXPU-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.50
Rot. Bonds5

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide (PubChem CID 114760377) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide
PubChem CID114760377
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CC2(O)CCNC2)c1OC
InChIInChI=1S/C15H22N2O4/c1-17(10-15(19)7-8-16-9-15)14(18)11-5-4-6-12(20-2)13(11)21-3/h4-6,16,19H,7-10H2,1-3H3
InChIKeyZLYJDXVBWQRXPU-UHFFFAOYSA-N
XLogP0.50
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methoxy-N,5-dimethylbenzamide
CID 114760445
3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide
CID 114760478
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
2-chloro-5-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 106500908
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide
CID 114760455
2-fluoro-4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 107675691
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
CID 114761278
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63140447
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-propan-2-ylbenzamide
CID 114760168
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide
CID 115760198

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide (CID 114760377) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)CC2(O)CCNC2)c1OC.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide?
The InChIKey is ZLYJDXVBWQRXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17(10-15(19)7-8-16-9-15)14(18)11-5-4-6-12(20-2)13(11)21-3/h4-6,16,19H,7-10H2,1-3H3.
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 114760377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).