3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide

C16H26N4O2 — CID 109016980

IUPAC3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)NCCCN(C)C)c1
InChIInChI=1S/C16H26N4O2/c1-13(21)19-15-7-4-6-14(12-15)17-10-8-16(22)18-9-5-11-20(2)3/h4,6-7,12,17H,5,8-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyMTNZNYIWEUNQLH-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.51
Rot. Bonds9

About 3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide

3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 109016980) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID109016980
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)NCCCN(C)C)c1
InChIInChI=1S/C16H26N4O2/c1-13(21)19-15-7-4-6-14(12-15)17-10-8-16(22)18-9-5-11-20(2)3/h4,6-7,12,17H,5,8-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyMTNZNYIWEUNQLH-UHFFFAOYSA-N
XLogP1.51
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.51
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

2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995310
N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
CID 108884144
3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017019
3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017023
3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109041146
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017002
N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944268
3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187
2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 78804891
4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207839
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide (CID 109016980) is 3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide is CC(=O)Nc1cccc(NCCC(=O)NCCCN(C)C)c1.
What is the InChIKey of 3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is MTNZNYIWEUNQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13(21)19-15-7-4-6-14(12-15)17-10-8-16(22)18-9-5-11-20(2)3/h4,6-7,12,17H,5,8-11H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide?
3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 306.41 g/mol, XLogP of 1.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 109016980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).