2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C15H21ClN2O4 — CID 113159978

IUPAC2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)C(C)=O
InChIInChI=1S/C15H21ClN2O4/c1-10-7-13(14(22-4)8-12(10)16)17-15(20)9-18(11(2)19)5-6-21-3/h7-8H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyKUPUJOPJZRFAKH-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.09
Rot. Bonds7

About 2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 113159978) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID113159978
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Name2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)C(C)=O
InChIInChI=1S/C15H21ClN2O4/c1-10-7-13(14(22-4)8-12(10)16)17-15(20)9-18(11(2)19)5-6-21-3/h7-8H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyKUPUJOPJZRFAKH-UHFFFAOYSA-N
XLogP2.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158086
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160569
2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158798
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160948
3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113117237
2-[acetyl(2-methylpropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158996
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113162311
2-[acetyl(3-methoxypropyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113160122
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111496926
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
2-[acetyl(2-methoxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113159965

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 113159978) is 2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is COCCN(CC(=O)Nc1cc(C)c(Cl)cc1OC)C(C)=O.
What is the InChIKey of 2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is KUPUJOPJZRFAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4/c1-10-7-13(14(22-4)8-12(10)16)17-15(20)9-18(11(2)19)5-6-21-3/h7-8H,5-6,9H2,1-4H3,(H,17,20).
What are the key properties of 2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 328.80 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 113159978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).