5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide

C15H22ClNO3 — CID 43470726

IUPAC5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
SMILESCOc1cccc(CN(C)C(=O)CCCCCl)c1OC
InChIInChI=1S/C15H22ClNO3/c1-17(14(18)9-4-5-10-16)11-12-7-6-8-13(19-2)15(12)20-3/h6-8H,4-5,9-11H2,1-3H3
InChIKeyVLPCBAJAANTJJC-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.07
Rot. Bonds8

About 5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide

5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide (PubChem CID 43470726) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
PubChem CID43470726
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
SMILESCOc1cccc(CN(C)C(=O)CCCCCl)c1OC
InChIInChI=1S/C15H22ClNO3/c1-17(14(18)9-4-5-10-16)11-12-7-6-8-13(19-2)15(12)20-3/h6-8H,4-5,9-11H2,1-3H3
InChIKeyVLPCBAJAANTJJC-UHFFFAOYSA-N
XLogP3.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
CID 60936664
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648390
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
2-(2-cyanophenoxy)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7718911
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146
N-[(2,3-dimethoxyphenyl)methyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-methylpropanamide
CID 18112078
2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate
CID 79346244
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide?
The IUPAC name of 5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide (CID 43470726) is 5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide is COc1cccc(CN(C)C(=O)CCCCCl)c1OC.
What is the InChIKey of 5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide?
The InChIKey is VLPCBAJAANTJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-17(14(18)9-4-5-10-16)11-12-7-6-8-13(19-2)15(12)20-3/h6-8H,4-5,9-11H2,1-3H3.
What are the key properties of 5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide?
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide has a molecular weight of 299.80 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 43470726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).