4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide

C23H31N3O2 — CID 100716626

IUPAC4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1C(C)C
InChIInChI=1S/C23H31N3O2/c1-16(2)20-15-21(17(3)14-22(20)28-5)23(27)24-18-6-8-19(9-7-18)26-12-10-25(4)11-13-26/h6-9,14-16H,10-13H2,1-5H3,(H,24,27)
InChIKeyBQUCUENOLFRPSA-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.13
Rot. Bonds5

About 4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide

4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide (PubChem CID 100716626) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide
PubChem CID100716626
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1C(C)C
InChIInChI=1S/C23H31N3O2/c1-16(2)20-15-21(17(3)14-22(20)28-5)23(27)24-18-6-8-19(9-7-18)26-12-10-25(4)11-13-26/h6-9,14-16H,10-13H2,1-5H3,(H,24,27)
InChIKeyBQUCUENOLFRPSA-UHFFFAOYSA-N
XLogP4.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.13
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

4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100714297
N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100712843
N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100713672
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
CID 50946132
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129
2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 30857280
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 25336134
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 133186522
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide (CID 100716626) is 4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide is COc1cc(C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide?
The InChIKey is BQUCUENOLFRPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-16(2)20-15-21(17(3)14-22(20)28-5)23(27)24-18-6-8-19(9-7-18)26-12-10-25(4)11-13-26/h6-9,14-16H,10-13H2,1-5H3,(H,24,27).
What are the key properties of 4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide?
4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide has a molecular weight of 381.52 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide is sourced from PubChem (CID 100716626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).