N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C19H32N4O — CID 119652718

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)N(C)CC(C)(C)CN)cc2)CC1
InChIInChI=1S/C19H32N4O/c1-19(2,14-20)15-22(4)18(24)17-7-5-16(6-8-17)13-23-11-9-21(3)10-12-23/h5-8H,9-15,20H2,1-4H3
InChIKeyOEXIELCAFJSDQK-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.49
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 119652718) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID119652718
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)N(C)CC(C)(C)CN)cc2)CC1
InChIInChI=1S/C19H32N4O/c1-19(2,14-20)15-22(4)18(24)17-7-5-16(6-8-17)13-23-11-9-21(3)10-12-23/h5-8H,9-15,20H2,1-4H3
InChIKeyOEXIELCAFJSDQK-UHFFFAOYSA-N
XLogP1.49
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylbenzamide;dihydrochloride
CID 119655756
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
N-(1-amino-2-methylpropan-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119521599
N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 122147482
N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119657579
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119652729
N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 91373409
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide
CID 79652485

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 119652718) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CN1CCN(Cc2ccc(C(=O)N(C)CC(C)(C)CN)cc2)CC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is OEXIELCAFJSDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-19(2,14-20)15-22(4)18(24)17-7-5-16(6-8-17)13-23-11-9-21(3)10-12-23/h5-8H,9-15,20H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 332.49 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 119652718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).