4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide

C30H37N3O2 — CID 10116194

IUPAC4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)C)CC3)cc2)c(-c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C30H37N3O2/c1-21(2)23-6-8-24(9-7-23)29-20-27(35-5)14-15-28(29)30(34)31-25-10-12-26(13-11-25)33-18-16-32(17-19-33)22(3)4/h6-15,20-22H,16-19H2,1-5H3,(H,31,34)
InChIKeyGELPLASGOXKFQY-UHFFFAOYSA-N
MW471.65 g/mol
LogP6.27
Rot. Bonds7

About 4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide

4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide (PubChem CID 10116194) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is 4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
PubChem CID10116194
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC Name4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)C)CC3)cc2)c(-c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C30H37N3O2/c1-21(2)23-6-8-24(9-7-23)29-20-27(35-5)14-15-28(29)30(34)31-25-10-12-26(13-11-25)33-18-16-32(17-19-33)22(3)4/h6-15,20-22H,16-19H2,1-5H3,(H,31,34)
InChIKeyGELPLASGOXKFQY-UHFFFAOYSA-N
XLogP6.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 10174229
4-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 10277567
2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502708
2-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-N-(4-propan-2-ylphenyl)benzamide
CID 3585654
4-[4-[[5-methoxy-2-(4-propan-2-ylphenyl)benzoyl]amino]phenyl]-3-methylpiperazine-1-carboxamide
CID 91420969
2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502704
4-methoxy-N,2-diphenylbenzamide
CID 156739257
methyl 2-phenyl-2-[4-[4-[(2-phenylbenzoyl)amino]phenyl]piperazin-1-yl]acetate
CID 22499399
3-methoxy-N-(4-piperazin-1-ylphenyl)-2-(4-propan-2-ylphenyl)benzamide
CID 11362426
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
CID 112502701

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide (CID 10116194) is 4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CCN(C(C)C)CC3)cc2)c(-c2ccc(C(C)C)cc2)c1.
What is the InChIKey of 4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is GELPLASGOXKFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-21(2)23-6-8-24(9-7-23)29-20-27(35-5)14-15-28(29)30(34)31-25-10-12-26(13-11-25)33-18-16-32(17-19-33)22(3)4/h6-15,20-22H,16-19H2,1-5H3,(H,31,34).
What are the key properties of 4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 471.65 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 10116194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).