N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride

C14H25Cl2N3O — CID 119867796

IUPACN-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCCCNc1ccccc1.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-12(11-15-2)14(18)17-10-6-9-16-13-7-4-3-5-8-13;;/h3-5,7-8,12,15-16H,6,9-11H2,1-2H3,(H,17,18);2*1H
InChIKeyGUKSBWUHYTYSFS-UHFFFAOYSA-N
MW322.28 g/mol
LogP2.30
Rot. Bonds8

About N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119867796) has the molecular formula C14H25Cl2N3O and a molecular weight of 322.28 g/mol. Its IUPAC name is N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119867796
Molecular FormulaC14H25Cl2N3O
Molecular Weight322.28 g/mol
Exact Mass321.14
IUPAC NameN-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCCCNc1ccccc1.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-12(11-15-2)14(18)17-10-6-9-16-13-7-4-3-5-8-13;;/h3-5,7-8,12,15-16H,6,9-11H2,1-2H3,(H,17,18);2*1H
InChIKeyGUKSBWUHYTYSFS-UHFFFAOYSA-N
XLogP2.30
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.30
H-Bond Donors ≤ 53
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-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119835669
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
CID 119739688
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-(2-methoxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119703920
1-(3-anilinopropyl)-3-[(2R)-butan-2-yl]urea
CID 95147782
4-amino-N-(3-anilinopropyl)pentanamide
CID 120565112
2-amino-N-(3-anilinopropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669990
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902437
N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195494
2-methyl-3-(methylamino)-N-(3-phenothiazin-10-ylpropyl)propanamide
CID 119731854
N-(3-anilinopropyl)-2-phenylacetamide
CID 102467435
(2S)-2-(3-anilinopropylamino)-3-methylbutanoic acid
CID 54213846

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119867796) is N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)NCCCNc1ccccc1.Cl.Cl.
What is the InChIKey of N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is GUKSBWUHYTYSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.2ClH/c1-12(11-15-2)14(18)17-10-6-9-16-13-7-4-3-5-8-13;;/h3-5,7-8,12,15-16H,6,9-11H2,1-2H3,(H,17,18);2*1H.
What are the key properties of N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 322.28 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119867796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).