3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide

C24H30N4O2 — CID 56517981

IUPAC3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCc2ccccc2N2CCN(C)CC2)c1
InChIInChI=1S/C24H30N4O2/c1-17-14-21(17)24(30)26-20-8-5-7-18(15-20)23(29)25-16-19-6-3-4-9-22(19)28-12-10-27(2)11-13-28/h3-9,15,17,21H,10-14,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyJXTALMQKFVYZNO-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.96
Rot. Bonds6

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

3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (PubChem CID 56517981) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
PubChem CID56517981
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCc2ccccc2N2CCN(C)CC2)c1
InChIInChI=1S/C24H30N4O2/c1-17-14-21(17)24(30)26-20-8-5-7-18(15-20)23(29)25-16-19-6-3-4-9-22(19)28-12-10-27(2)11-13-28/h3-9,15,17,21H,10-14,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyJXTALMQKFVYZNO-UHFFFAOYSA-N
XLogP2.96
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55669195
N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 47028913
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714267
N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651098
5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466586
5-[[[3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466587
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-[2-(2-methoxyphenyl)ethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959283
trans-(1S,2S)-2-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 25344418
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651831
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 98727874
N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 94184057

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide (CID 56517981) is 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is CC1CC1C(=O)Nc1cccc(C(=O)NCc2ccccc2N2CCN(C)CC2)c1.
What is the InChIKey of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
The InChIKey is JXTALMQKFVYZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17-14-21(17)24(30)26-20-8-5-7-18(15-20)23(29)25-16-19-6-3-4-9-22(19)28-12-10-27(2)11-13-28/h3-9,15,17,21H,10-14,16H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide?
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide has a molecular weight of 406.53 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 56517981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).