2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide

C15H24N4O2 — CID 108995310

IUPAC2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NCCCN(C)C)c1
InChIInChI=1S/C15H24N4O2/c1-12(20)18-14-7-4-6-13(10-14)17-11-15(21)16-8-5-9-19(2)3/h4,6-7,10,17H,5,8-9,11H2,1-3H3,(H,16,21)(H,18,20)
InChIKeyUTOCCTUKKVNBPC-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.12
Rot. Bonds8

About 2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide

2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 108995310) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID108995310
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NCCCN(C)C)c1
InChIInChI=1S/C15H24N4O2/c1-12(20)18-14-7-4-6-13(10-14)17-11-15(21)16-8-5-9-19(2)3/h4,6-7,10,17H,5,8-9,11H2,1-3H3,(H,16,21)(H,18,20)
InChIKeyUTOCCTUKKVNBPC-UHFFFAOYSA-N
XLogP1.12
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016980
N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
CID 108884144
2-(3-acetamidoanilino)-N-prop-2-enylacetamide
CID 54831608
N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide
CID 108995266
N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944268
2-(3-acetamidoanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000800
2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37176536
2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995350
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 78804891
2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 109006850
4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207839

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide (CID 108995310) is 2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide is CC(=O)Nc1cccc(NCC(=O)NCCCN(C)C)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is UTOCCTUKKVNBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(20)18-14-7-4-6-13(10-14)17-11-15(21)16-8-5-9-19(2)3/h4,6-7,10,17H,5,8-9,11H2,1-3H3,(H,16,21)(H,18,20).
What are the key properties of 2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide?
2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 108995310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).