3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide

C18H27N3O4 — CID 119530168

IUPAC3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1cc(NC(C)=O)c(OC)c(OC)c1)C1CCNC1
InChIInChI=1S/C18H27N3O4/c1-5-8-21(14-6-7-19-11-14)18(23)13-9-15(20-12(2)22)17(25-4)16(10-13)24-3/h9-10,14,19H,5-8,11H2,1-4H3,(H,20,22)
InChIKeyGAELCNBMLPWTJR-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.88
Rot. Bonds7

About 3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide

3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 119530168) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
PubChem CID119530168
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
SMILESCCCN(C(=O)c1cc(NC(C)=O)c(OC)c(OC)c1)C1CCNC1
InChIInChI=1S/C18H27N3O4/c1-5-8-21(14-6-7-19-11-14)18(23)13-9-15(20-12(2)22)17(25-4)16(10-13)24-3/h9-10,14,19H,5-8,11H2,1-4H3,(H,20,22)
InChIKeyGAELCNBMLPWTJR-UHFFFAOYSA-N
XLogP1.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826418
3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532395
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530172
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195
3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119551020
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 81119139
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide (CID 119530168) is 3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide is CCCN(C(=O)c1cc(NC(C)=O)c(OC)c(OC)c1)C1CCNC1.
What is the InChIKey of 3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is GAELCNBMLPWTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-5-8-21(14-6-7-19-11-14)18(23)13-9-15(20-12(2)22)17(25-4)16(10-13)24-3/h9-10,14,19H,5-8,11H2,1-4H3,(H,20,22).
What are the key properties of 3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide?
3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 349.43 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119530168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).