N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride

C13H22Cl2N4O2 — CID 119868276

IUPACN-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
SMILESCN(C)CCC(=O)Nc1ccc(NC(=O)CN)cc1.Cl.Cl
InChIInChI=1S/C13H20N4O2.2ClH/c1-17(2)8-7-12(18)15-10-3-5-11(6-4-10)16-13(19)9-14;;/h3-6H,7-9,14H2,1-2H3,(H,15,18)(H,16,19);2*1H
InChIKeyQKXCNKXYXQGAAG-UHFFFAOYSA-N
MW337.25 g/mol
LogP1.32
Rot. Bonds6

About N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride

N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride (PubChem CID 119868276) has the molecular formula C13H22Cl2N4O2 and a molecular weight of 337.25 g/mol. Its IUPAC name is N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
PubChem CID119868276
Molecular FormulaC13H22Cl2N4O2
Molecular Weight337.25 g/mol
Exact Mass336.11
IUPAC NameN-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
SMILESCN(C)CCC(=O)Nc1ccc(NC(=O)CN)cc1.Cl.Cl
InChIInChI=1S/C13H20N4O2.2ClH/c1-17(2)8-7-12(18)15-10-3-5-11(6-4-10)16-13(19)9-14;;/h3-6H,7-9,14H2,1-2H3,(H,15,18)(H,16,19);2*1H
InChIKeyQKXCNKXYXQGAAG-UHFFFAOYSA-N
XLogP1.32
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139956232
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622
N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693042
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride
CID 119868286
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119868250
N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide
CID 141036674
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
(2S)-2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4-methylsulfanylbutanamide
CID 119868241
N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
CID 130770751
2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride?
The IUPAC name of N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride (CID 119868276) is N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride is CN(C)CCC(=O)Nc1ccc(NC(=O)CN)cc1.Cl.Cl.
What is the InChIKey of N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride?
The InChIKey is QKXCNKXYXQGAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.2ClH/c1-17(2)8-7-12(18)15-10-3-5-11(6-4-10)16-13(19)9-14;;/h3-6H,7-9,14H2,1-2H3,(H,15,18)(H,16,19);2*1H.
What are the key properties of N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride?
N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride has a molecular weight of 337.25 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119868276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).