N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide

C26H28N4O3 — CID 4797797

IUPACN-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCN(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-33-24-13-11-22(12-14-24)28-26(32)20-7-9-21(10-8-20)27-25(31)19-29-15-17-30(18-16-29)23-5-3-2-4-6-23/h2-14H,15-19H2,1H3,(H,27,31)(H,28,32)
InChIKeyJJFORHSGJRAXAP-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.71
Rot. Bonds7

About N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide

N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide (PubChem CID 4797797) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
PubChem CID4797797
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCN(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-33-24-13-11-22(12-14-24)28-26(32)20-7-9-21(10-8-20)27-25(31)19-29-15-17-30(18-16-29)23-5-3-2-4-6-23/h2-14H,15-19H2,1H3,(H,27,31)(H,28,32)
InChIKeyJJFORHSGJRAXAP-UHFFFAOYSA-N
XLogP3.71
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

GR-103691
CID 4302960
Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6457069
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
CID 5288679
3-[(4-Methoxyphenyl)amino]-2-piperidylnaphthalene-1,4-dione
CID 1389332
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
CID 4880035
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(4-phenylphenyl)formamido]propanamide
CID 11306593
(2S)-4-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]butanamide
CID 23648314
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-2-phenylacetamide
CID 23648315
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-3-(4-methylphenyl)-2-[(3-methylphenyl)formamido]propanamide
CID 23648320
Arylaminoethyl amide, 5k
CID 23648321

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide (CID 4797797) is N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCN(c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide?
The InChIKey is JJFORHSGJRAXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-33-24-13-11-22(12-14-24)28-26(32)20-7-9-21(10-8-20)27-25(31)19-29-15-17-30(18-16-29)23-5-3-2-4-6-23/h2-14H,15-19H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide?
N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 4797797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).