N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide

C27H30N4O3 — CID 90462307

IUPACN-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide
SMILESCON(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H30N4O3/c1-29-16-18-30(19-17-29)20-26(32)31(34-2)25-14-12-24(13-15-25)28-27(33)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-15H,16-20H2,1-2H3,(H,28,33)
InChIKeyBKCVUSYDLMIFMW-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.75
Rot. Bonds7

About N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide

N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide (PubChem CID 90462307) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide
PubChem CID90462307
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide
SMILESCON(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H30N4O3/c1-29-16-18-30(19-17-29)20-26(32)31(34-2)25-14-12-24(13-15-25)28-27(33)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-15H,16-20H2,1-2H3,(H,28,33)
InChIKeyBKCVUSYDLMIFMW-UHFFFAOYSA-N
XLogP3.75
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[methoxy-[2-(4-methoxyphenyl)acetyl]amino]phenyl]-4-phenylbenzamide
CID 90462611
N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide
CID 122397801
N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide
CID 145030171
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 59627322
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826

Frequently Asked Questions

What is the IUPAC name of N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide (CID 90462307) is N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide is CON(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide?
The InChIKey is BKCVUSYDLMIFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-29-16-18-30(19-17-29)20-26(32)31(34-2)25-14-12-24(13-15-25)28-27(33)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-15H,16-20H2,1-2H3,(H,28,33).
What are the key properties of N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide?
N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide has a molecular weight of 458.56 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methoxy-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 90462307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).