2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide

C18H29N3O3 — CID 113164495

IUPAC2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCOc1ccccc1CCN(CC(=O)NCCCN(C)C)C(C)=O
InChIInChI=1S/C18H29N3O3/c1-15(22)21(14-18(23)19-11-7-12-20(2)3)13-10-16-8-5-6-9-17(16)24-4/h5-6,8-9H,7,10-14H2,1-4H3,(H,19,23)
InChIKeyRRHYRWIQLQUMLP-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.15
Rot. Bonds10

About 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 113164495) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID113164495
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide
SMILESCOc1ccccc1CCN(CC(=O)NCCCN(C)C)C(C)=O
InChIInChI=1S/C18H29N3O3/c1-15(22)21(14-18(23)19-11-7-12-20(2)3)13-10-16-8-5-6-9-17(16)24-4/h5-6,8-9H,7,10-14H2,1-4H3,(H,19,23)
InChIKeyRRHYRWIQLQUMLP-UHFFFAOYSA-N
XLogP1.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113165813
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113164509
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
CID 113055809
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113164494
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide
CID 113055835
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 113164550
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-cyclopropylacetamide
CID 113164478
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164552
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113164597
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113162558
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
CID 113055840
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113164557

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide (CID 113164495) is 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide is COc1ccccc1CCN(CC(=O)NCCCN(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is RRHYRWIQLQUMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-15(22)21(14-18(23)19-11-7-12-20(2)3)13-10-16-8-5-6-9-17(16)24-4/h5-6,8-9H,7,10-14H2,1-4H3,(H,19,23).
What are the key properties of 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide?
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 1.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 113164495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).