2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride

C17H30Cl2N4O2 — CID 119868286

IUPAC2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(NC(=O)CCN(C)C)cc1.Cl.Cl
InChIInChI=1S/C17H28N4O2.2ClH/c1-5-12(2)16(18)17(23)20-14-8-6-13(7-9-14)19-15(22)10-11-21(3)4;;/h6-9,12,16H,5,10-11,18H2,1-4H3,(H,19,22)(H,20,23);2*1H
InChIKeyXHMHIANZVTYUME-UHFFFAOYSA-N
MW393.36 g/mol
LogP2.73
Rot. Bonds8

About 2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride

2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride (PubChem CID 119868286) has the molecular formula C17H30Cl2N4O2 and a molecular weight of 393.36 g/mol. Its IUPAC name is 2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride
PubChem CID119868286
Molecular FormulaC17H30Cl2N4O2
Molecular Weight393.36 g/mol
Exact Mass392.17
IUPAC Name2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(NC(=O)CCN(C)C)cc1.Cl.Cl
InChIInChI=1S/C17H28N4O2.2ClH/c1-5-12(2)16(18)17(23)20-14-8-6-13(7-9-14)19-15(22)10-11-21(3)4;;/h6-9,12,16H,5,10-11,18H2,1-4H3,(H,19,22)(H,20,23);2*1H
InChIKeyXHMHIANZVTYUME-UHFFFAOYSA-N
XLogP2.73
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119868250
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868276
acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide
CID 154915033
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
CID 61174601
2-amino-3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride
CID 119702323

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride (CID 119868286) is 2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride is CCC(C)C(N)C(=O)Nc1ccc(NC(=O)CCN(C)C)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride?
The InChIKey is XHMHIANZVTYUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.2ClH/c1-5-12(2)16(18)17(23)20-14-8-6-13(7-9-14)19-15(22)10-11-21(3)4;;/h6-9,12,16H,5,10-11,18H2,1-4H3,(H,19,22)(H,20,23);2*1H.
What are the key properties of 2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride?
2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride has a molecular weight of 393.36 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride is sourced from PubChem (CID 119868286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).