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

C16H26N2O2 — CID 110769641

IUPACN-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCN(C)C)c(C)c1C
InChIInChI=1S/C16H26N2O2/c1-12-13(2)15(20-5)8-7-14(12)11-16(19)17-9-6-10-18(3)4/h7-8H,6,9-11H2,1-5H3,(H,17,19)
InChIKeyBGSCPMJVZYNQEF-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.92
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide (PubChem CID 110769641) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide
PubChem CID110769641
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCN(C)C)c(C)c1C
InChIInChI=1S/C16H26N2O2/c1-12-13(2)15(20-5)8-7-14(12)11-16(19)17-9-6-10-18(3)4/h7-8H,6,9-11H2,1-5H3,(H,17,19)
InChIKeyBGSCPMJVZYNQEF-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.92
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-(4-methoxy-2,3-dimethylphenyl)-N-(3-methoxypropyl)acetamide
CID 110769636
N-[3-(dimethylamino)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 95970771
2-[2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-4-methoxy-5-methylphenyl]acetic acid
CID 144723155
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 110769484
4-hydroxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115163104
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(dimethylamino)propyl]urea
CID 58817803
3-[(4-methoxy-2,3-dimethylphenyl)methylamino]-3-oxopropanoic acid
CID 115163405
N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 110769670
N-[2-(dimethylamino)ethyl]-2-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 10730419
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112991569
N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944261

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide (CID 110769641) is N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide is COc1ccc(CC(=O)NCCCN(C)C)c(C)c1C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide?
The InChIKey is BGSCPMJVZYNQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-13(2)15(20-5)8-7-14(12)11-16(19)17-9-6-10-18(3)4/h7-8H,6,9-11H2,1-5H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide?
N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(4-methoxy-2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 110769641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).