2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide

C15H22ClNO3 — CID 21299004

IUPAC2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide
SMILESCOc1cccc(C(C)C)c1N(C(=O)CCl)C(C)OC
InChIInChI=1S/C15H22ClNO3/c1-10(2)12-7-6-8-13(20-5)15(12)17(11(3)19-4)14(18)9-16/h6-8,10-11H,9H2,1-5H3
InChIKeyQQTTXOHGRMXDES-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.38
Rot. Bonds6

About 2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide

2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide (PubChem CID 21299004) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide
PubChem CID21299004
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide
SMILESCOc1cccc(C(C)C)c1N(C(=O)CCl)C(C)OC
InChIInChI=1S/C15H22ClNO3/c1-10(2)12-7-6-8-13(20-5)15(12)17(11(3)19-4)14(18)9-16/h6-8,10-11H,9H2,1-5H3
InChIKeyQQTTXOHGRMXDES-UHFFFAOYSA-N
XLogP3.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115161877
2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 154111334
(2,6-dimethoxyphenyl)-[[2,6-di(propan-2-yl)phenyl]carbamoyl]sulfamic acid
CID 67827519
methyl (2R)-2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate
CID 169090005
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)-N-prop-2-ynylacetamide
CID 21487534
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide
CID 21299002
2-hydroxy-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115139677
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
2-amino-N-[2,6-di(propan-2-yl)phenyl]-N-methylacetamide
CID 28794600
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 4793295

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide (CID 21299004) is 2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide is COc1cccc(C(C)C)c1N(C(=O)CCl)C(C)OC.
What is the InChIKey of 2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide?
The InChIKey is QQTTXOHGRMXDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-10(2)12-7-6-8-13(20-5)15(12)17(11(3)19-4)14(18)9-16/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide?
2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide has a molecular weight of 299.80 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 21299004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).