N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide

C16H21ClN2O4 — CID 113180300

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)N1CCOCC1)C(C)=O
InChIInChI=1S/C16H21ClN2O4/c1-11-8-14(15(22-3)9-13(11)17)19(12(2)20)10-16(21)18-4-6-23-7-5-18/h8-9H,4-7,10H2,1-3H3
InChIKeyHHFYGMXQRQZHLS-UHFFFAOYSA-N
MW340.81 g/mol
LogP1.87
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide (PubChem CID 113180300) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
PubChem CID113180300
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)N1CCOCC1)C(C)=O
InChIInChI=1S/C16H21ClN2O4/c1-11-8-14(15(22-3)9-13(11)17)19(12(2)20)10-16(21)18-4-6-23-7-5-18/h8-9H,4-7,10H2,1-3H3
InChIKeyHHFYGMXQRQZHLS-UHFFFAOYSA-N
XLogP1.87
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113180332
N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 113172652
N-(4-chloro-2-methoxy-5-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134457
N-(3,5-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 113179820
N-(5-chloro-2-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113172796
N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113174510
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113134403
ethyl 4-[2-(N-acetyl-2-methoxy-5-methylanilino)acetyl]piperazine-1-carboxylate
CID 113174079
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113180325
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180373
2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
CID 110770037
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113180389

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide (CID 113180300) is N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide is COc1cc(Cl)c(C)cc1N(CC(=O)N1CCOCC1)C(C)=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide?
The InChIKey is HHFYGMXQRQZHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-11-8-14(15(22-3)9-13(11)17)19(12(2)20)10-16(21)18-4-6-23-7-5-18/h8-9H,4-7,10H2,1-3H3.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide has a molecular weight of 340.81 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide is sourced from PubChem (CID 113180300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).