3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide

C20H31N3O4 — CID 119558647

IUPAC3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCC2CCCNC2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C20H31N3O4/c1-14(2)23-19(24)13-27-17-7-6-16(11-18(17)26-3)20(25)22-10-8-15-5-4-9-21-12-15/h6-7,11,14-15,21H,4-5,8-10,12-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyNFPVJKMCZXGQHE-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.72
Rot. Bonds9

About 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide

3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 119558647) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID119558647
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCC2CCCNC2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C20H31N3O4/c1-14(2)23-19(24)13-27-17-7-6-16(11-18(17)26-3)20(25)22-10-8-15-5-4-9-21-12-15/h6-7,11,14-15,21H,4-5,8-10,12-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyNFPVJKMCZXGQHE-UHFFFAOYSA-N
XLogP1.72
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119558587
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696
3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537216
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534962
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463531
3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide
CID 119425199
N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
CID 119478225
4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
CID 119425018

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide (CID 119558647) is 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide is COc1cc(C(=O)NCCC2CCCNC2)ccc1OCC(=O)NC(C)C.
What is the InChIKey of 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is NFPVJKMCZXGQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-14(2)23-19(24)13-27-17-7-6-16(11-18(17)26-3)20(25)22-10-8-15-5-4-9-21-12-15/h6-7,11,14-15,21H,4-5,8-10,12-13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide?
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 377.49 g/mol, XLogP of 1.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 119558647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).