4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride

C15H27Cl2N3O — CID 119831619

IUPAC4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
SMILESCNCCCC(=O)NCCCN(C)c1ccccc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-16-11-6-10-15(19)17-12-7-13-18(2)14-8-4-3-5-9-14;;/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,17,19);2*1H
InChIKeyLLMPDLIXPRPODR-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.47
Rot. Bonds9

About 4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride

4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride (PubChem CID 119831619) has the molecular formula C15H27Cl2N3O and a molecular weight of 336.31 g/mol. Its IUPAC name is 4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
PubChem CID119831619
Molecular FormulaC15H27Cl2N3O
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC Name4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
SMILESCNCCCC(=O)NCCCN(C)c1ccccc1.Cl.Cl
InChIInChI=1S/C15H25N3O.2ClH/c1-16-11-6-10-15(19)17-12-7-13-18(2)14-8-4-3-5-9-14;;/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,17,19);2*1H
InChIKeyLLMPDLIXPRPODR-UHFFFAOYSA-N
XLogP2.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide
CID 119881664
N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
CID 61259926
1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831631
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 64685522
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 78814923

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride?
The IUPAC name of 4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride (CID 119831619) is 4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride?
The canonical SMILES for 4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride is CNCCCC(=O)NCCCN(C)c1ccccc1.Cl.Cl.
What is the InChIKey of 4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride?
The InChIKey is LLMPDLIXPRPODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.2ClH/c1-16-11-6-10-15(19)17-12-7-13-18(2)14-8-4-3-5-9-14;;/h3-5,8-9,16H,6-7,10-13H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride?
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride has a molecular weight of 336.31 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride is sourced from PubChem (CID 119831619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).