4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide

C20H30ClN3O4 — CID 47090811

IUPAC4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide
SMILESCCCCN1CCCCC1CNC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C20H30ClN3O4/c1-3-4-8-24-9-6-5-7-15(24)12-23-20(26)14-10-16(21)19(17(11-14)27-2)28-13-18(22)25/h10-11,15H,3-9,12-13H2,1-2H3,(H2,22,25)(H,23,26)
InChIKeyDXNRFZQYKOOXRV-UHFFFAOYSA-N
MW411.93 g/mol
LogP2.60
Rot. Bonds10

About 4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide (PubChem CID 47090811) has the molecular formula C20H30ClN3O4 and a molecular weight of 411.93 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide
PubChem CID47090811
Molecular FormulaC20H30ClN3O4
Molecular Weight411.93 g/mol
Exact Mass411.19
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide
SMILESCCCCN1CCCCC1CNC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C20H30ClN3O4/c1-3-4-8-24-9-6-5-7-15(24)12-23-20(26)14-10-16(21)19(17(11-14)27-2)28-13-18(22)25/h10-11,15H,3-9,12-13H2,1-2H3,(H2,22,25)(H,23,26)
InChIKeyDXNRFZQYKOOXRV-UHFFFAOYSA-N
XLogP2.60
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride
CID 119651087
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513747
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
CID 119508033
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37392929
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide
CID 18138322
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55893304
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536727
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-methylpiperidine-3-carboxamide
CID 119128285

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide (CID 47090811) is 4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide is CCCCN1CCCCC1CNC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide?
The InChIKey is DXNRFZQYKOOXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O4/c1-3-4-8-24-9-6-5-7-15(24)12-23-20(26)14-10-16(21)19(17(11-14)27-2)28-13-18(22)25/h10-11,15H,3-9,12-13H2,1-2H3,(H2,22,25)(H,23,26).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide has a molecular weight of 411.93 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide is sourced from PubChem (CID 47090811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).