2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide

C15H22BrN3O2 — CID 113172934

IUPAC2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)N(CC(=O)NCCCN(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O2/c1-12(20)19(14-7-5-13(16)6-8-14)11-15(21)17-9-4-10-18(2)3/h5-8H,4,9-11H2,1-3H3,(H,17,21)
InChIKeyJEDRSMLNFBXVKR-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.87
Rot. Bonds7

About 2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide

2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 113172934) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID113172934
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)N(CC(=O)NCCCN(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O2/c1-12(20)19(14-7-5-13(16)6-8-14)11-15(21)17-9-4-10-18(2)3/h5-8H,4,9-11H2,1-3H3,(H,17,21)
InChIKeyJEDRSMLNFBXVKR-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.87
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-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113167668
2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113169224
2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172179
2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113167666
2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113177580
3-(N-acetyl-4-bromo-3-methylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113132786
2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide
CID 113172965
4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide
CID 112991558
N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide
CID 113060337
2-(N-acetyl-3-bromo-4-methylanilino)-N-butylacetamide
CID 113173029
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
CID 113176712
2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113173694

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide (CID 113172934) is 2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide is CC(=O)N(CC(=O)NCCCN(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is JEDRSMLNFBXVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-12(20)19(14-7-5-13(16)6-8-14)11-15(21)17-9-4-10-18(2)3/h5-8H,4,9-11H2,1-3H3,(H,17,21).
What are the key properties of 2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide?
2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 356.26 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 113172934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).