4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C18H27ClN2O3 — CID 119552147

IUPAC4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)C2CCNC2)ccc1OC1CCCC1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-20(14-9-10-19-12-14)18(21)13-7-8-16(17(11-13)22-2)23-15-5-3-4-6-15;/h7-8,11,14-15,19H,3-6,9-10,12H2,1-2H3;1H
InChIKeyDZTHWQZXSJMFQM-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.87
Rot. Bonds5

About 4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119552147) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119552147
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)C2CCNC2)ccc1OC1CCCC1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-20(14-9-10-19-12-14)18(21)13-7-8-16(17(11-13)22-2)23-15-5-3-4-6-15;/h7-8,11,14-15,19H,3-6,9-10,12H2,1-2H3;1H
InChIKeyDZTHWQZXSJMFQM-UHFFFAOYSA-N
XLogP2.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552123
4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426527
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
4-cyclopentyloxy-3-methoxy-N-methyl-N-(2-oxopropyl)benzamide
CID 130184757
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443779
3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443929
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119552147) is 4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is COc1cc(C(=O)N(C)C2CCNC2)ccc1OC1CCCC1.Cl.
What is the InChIKey of 4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is DZTHWQZXSJMFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-20(14-9-10-19-12-14)18(21)13-7-8-16(17(11-13)22-2)23-15-5-3-4-6-15;/h7-8,11,14-15,19H,3-6,9-10,12H2,1-2H3;1H.
What are the key properties of 4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119552147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).