2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide

C14H21ClN2O2 — CID 110769441

IUPAC2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOc1c(C)cc(Cl)cc1CC(=O)NCCN(C)C
InChIInChI=1S/C14H21ClN2O2/c1-10-7-12(15)8-11(14(10)19-4)9-13(18)16-5-6-17(2)3/h7-8H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyXUFWZBXSFOTPNV-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.88
Rot. Bonds6

About 2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide

2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 110769441) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID110769441
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCOc1c(C)cc(Cl)cc1CC(=O)NCCN(C)C
InChIInChI=1S/C14H21ClN2O2/c1-10-7-12(15)8-11(14(10)19-4)9-13(18)16-5-6-17(2)3/h7-8H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyXUFWZBXSFOTPNV-UHFFFAOYSA-N
XLogP1.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110769515
2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 67968231
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butanamide
CID 110782925
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-3-hydroxypropanamide
CID 115139037
methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate
CID 110789555
1-[(5-chloro-2-methoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234732
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea
CID 115169247
(5-chloro-2-methoxy-3-methylphenyl)methyl-methylcarbamothioic S-acid
CID 115170136
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylcarbamoyl bromide
CID 115193766
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide (CID 110769441) is 2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide is COc1c(C)cc(Cl)cc1CC(=O)NCCN(C)C.
What is the InChIKey of 2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is XUFWZBXSFOTPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10-7-12(15)8-11(14(10)19-4)9-13(18)16-5-6-17(2)3/h7-8H,5-6,9H2,1-4H3,(H,16,18).
What are the key properties of 2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide?
2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 284.79 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 110769441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).