2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide

C16H25ClN2O2 — CID 110769484

IUPAC2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCOc1cc(C)c(Cl)c(C)c1CC(=O)NCCCN(C)C
InChIInChI=1S/C16H25ClN2O2/c1-11-9-14(21-5)13(12(2)16(11)17)10-15(20)18-7-6-8-19(3)4/h9H,6-8,10H2,1-5H3,(H,18,20)
InChIKeyHLKQLNOPQKAAOU-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.58
Rot. Bonds7

About 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 110769484) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID110769484
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCOc1cc(C)c(Cl)c(C)c1CC(=O)NCCCN(C)C
InChIInChI=1S/C16H25ClN2O2/c1-11-9-14(21-5)13(12(2)16(11)17)10-15(20)18-7-6-8-19(3)4/h9H,6-8,10H2,1-5H3,(H,18,20)
InChIKeyHLKQLNOPQKAAOU-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-4-methoxy-5-methylphenyl]acetic acid
CID 144723155
N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide
CID 110769641
N-[3-(dimethylamino)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 95970771
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide
CID 2268369
ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate
CID 110782966
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 110768709
3-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methylamino]propanoic acid
CID 98033447
2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110769441
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea
CID 110775927
N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 98016358
N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide
CID 110769539
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide (CID 110769484) is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide is COc1cc(C)c(Cl)c(C)c1CC(=O)NCCCN(C)C.
What is the InChIKey of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is HLKQLNOPQKAAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-11-9-14(21-5)13(12(2)16(11)17)10-15(20)18-7-6-8-19(3)4/h9H,6-8,10H2,1-5H3,(H,18,20).
What are the key properties of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide?
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 312.84 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 110769484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).