4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide

C17H24ClN3O5 — CID 55820158

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C17H24ClN3O5/c1-9(2)5-12(17(24)20-3)21-16(23)10-6-11(18)15(13(7-10)25-4)26-8-14(19)22/h6-7,9,12H,5,8H2,1-4H3,(H2,19,22)(H,20,24)(H,21,23)
InChIKeyWROYHXWSUGDULG-UHFFFAOYSA-N
MW385.85 g/mol
LogP1.10
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (PubChem CID 55820158) has the molecular formula C17H24ClN3O5 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
PubChem CID55820158
Molecular FormulaC17H24ClN3O5
Molecular Weight385.85 g/mol
Exact Mass385.14
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C17H24ClN3O5/c1-9(2)5-12(17(24)20-3)21-16(23)10-6-11(18)15(13(7-10)25-4)26-8-14(19)22/h6-7,9,12H,5,8H2,1-4H3,(H2,19,22)(H,20,24)(H,21,23)
InChIKeyWROYHXWSUGDULG-UHFFFAOYSA-N
XLogP1.10
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
CID 55923138
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
(2S,3S)-2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-3-methylpentanoic acid
CID 119193825
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55499160
4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide
CID 55582198
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide
CID 55840241
4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 16772294
3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776178
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 55920599
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55893304

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (CID 55820158) is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is CNC(=O)C(CC(C)C)NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The InChIKey is WROYHXWSUGDULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O5/c1-9(2)5-12(17(24)20-3)21-16(23)10-6-11(18)15(13(7-10)25-4)26-8-14(19)22/h6-7,9,12H,5,8H2,1-4H3,(H2,19,22)(H,20,24)(H,21,23).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide has a molecular weight of 385.85 g/mol, XLogP of 1.10, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 55820158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).