3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide

C17H27N3O3 — CID 113128887

IUPAC3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCOc1cccc(N(CCC(=O)NCCCN(C)C)C(C)=O)c1
InChIInChI=1S/C17H27N3O3/c1-14(21)20(15-7-5-8-16(13-15)23-4)12-9-17(22)18-10-6-11-19(2)3/h5,7-8,13H,6,9-12H2,1-4H3,(H,18,22)
InChIKeyBUEQQIPYWBNDPE-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.51
Rot. Bonds9

About 3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide

3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 113128887) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID113128887
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCOc1cccc(N(CCC(=O)NCCCN(C)C)C(C)=O)c1
InChIInChI=1S/C17H27N3O3/c1-14(21)20(15-7-5-8-16(13-15)23-4)12-9-17(22)18-10-6-11-19(2)3/h5,7-8,13H,6,9-12H2,1-4H3,(H,18,22)
InChIKeyBUEQQIPYWBNDPE-UHFFFAOYSA-N
XLogP1.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.51
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

N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide
CID 113060528
3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128873
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
3-(N-acetyl-4-bromo-3-methylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113132786
3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113129028
3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113124825
3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 113127189
3-(N-acetyl-3-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123797
3-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113128003
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113130421
3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113128994
3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113131113

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide (CID 113128887) is 3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide is COc1cccc(N(CCC(=O)NCCCN(C)C)C(C)=O)c1.
What is the InChIKey of 3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is BUEQQIPYWBNDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-14(21)20(15-7-5-8-16(13-15)23-4)12-9-17(22)18-10-6-11-19(2)3/h5,7-8,13H,6,9-12H2,1-4H3,(H,18,22).
What are the key properties of 3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide?
3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 321.42 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 113128887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).