2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide

C16H22ClNO3 — CID 15137840

IUPAC2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide
SMILESCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1OC
InChIInChI=1S/C16H22ClNO3/c1-12(2)16(13-7-5-6-8-14(13)21-4)18(9-10-20-3)15(19)11-17/h5-8H,9-11H2,1-4H3
InChIKeyVDLHJIPAACRHAP-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.16
Rot. Bonds7

About 2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide

2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide (PubChem CID 15137840) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide
PubChem CID15137840
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide
SMILESCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1OC
InChIInChI=1S/C16H22ClNO3/c1-12(2)16(13-7-5-6-8-14(13)21-4)18(9-10-20-3)15(19)11-17/h5-8H,9-11H2,1-4H3
InChIKeyVDLHJIPAACRHAP-UHFFFAOYSA-N
XLogP3.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
2-chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide;2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
CID 122590274
2-methoxy-N-(2-methoxyethoxy)benzamide
CID 79676030
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
CID 108570753
CID 135043978
CID 135043978
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
diethoxyphosphoryl-(2-methoxyphenyl)methanone
CID 23657325
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
N-(2-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
2-methoxybenzohydrazide
CID 24051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide (CID 15137840) is 2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide is COCCN(C(=O)CCl)C(=C(C)C)c1ccccc1OC.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide?
The InChIKey is VDLHJIPAACRHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-12(2)16(13-7-5-6-8-14(13)21-4)18(9-10-20-3)15(19)11-17/h5-8H,9-11H2,1-4H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide?
2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide has a molecular weight of 311.81 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N-[1-(2-methoxyphenyl)-2-methylprop-1-enyl]acetamide is sourced from PubChem (CID 15137840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).