2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide

C25H34N4O2 — CID 86945203

IUPAC2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide
SMILESCN1CCN(CCc2ccc(NC(=O)c3ccccc3NC(=O)C(C)(C)C)cc2)CC1
InChIInChI=1S/C25H34N4O2/c1-25(2,3)24(31)27-22-8-6-5-7-21(22)23(30)26-20-11-9-19(10-12-20)13-14-29-17-15-28(4)16-18-29/h5-12H,13-18H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyQPSGSNSCZPKDOQ-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.71
Rot. Bonds6

About 2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide

2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide (PubChem CID 86945203) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide
PubChem CID86945203
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide
SMILESCN1CCN(CCc2ccc(NC(=O)c3ccccc3NC(=O)C(C)(C)C)cc2)CC1
InChIInChI=1S/C25H34N4O2/c1-25(2,3)24(31)27-22-8-6-5-7-21(22)23(30)26-20-11-9-19(10-12-20)13-14-29-17-15-28(4)16-18-29/h5-12H,13-18H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyQPSGSNSCZPKDOQ-UHFFFAOYSA-N
XLogP3.71
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448601
1-[2-[4-(2,2-dimethylpropanoylamino)phenyl]ethyl]piperidine-4-carboxylic acid
CID 82260369
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]-2-methylbenzamide
CID 22004551
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86876134
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
CID 117063512
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
CID 143042806
2-(3-chlorophenyl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]triazole-4-carboxamide
CID 87032434
4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide
CID 86822181
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 86897509
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(dodecanoylamino)benzamide
CID 122188659
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide (CID 86945203) is 2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide is CN1CCN(CCc2ccc(NC(=O)c3ccccc3NC(=O)C(C)(C)C)cc2)CC1.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide?
The InChIKey is QPSGSNSCZPKDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-25(2,3)24(31)27-22-8-6-5-7-21(22)23(30)26-20-11-9-19(10-12-20)13-14-29-17-15-28(4)16-18-29/h5-12H,13-18H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide?
2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide has a molecular weight of 422.57 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide is sourced from PubChem (CID 86945203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).