2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide

C23H31N3O3 — CID 119048275

IUPAC2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)c1OC
InChIInChI=1S/C23H31N3O3/c1-16(2)25-9-11-26(12-10-25)19-14-17(3)13-18(15-19)24-23(27)20-7-6-8-21(28-4)22(20)29-5/h6-8,13-16H,9-12H2,1-5H3,(H,24,27)
InChIKeyXIOSDLQGVPBBLV-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.79
Rot. Bonds6

About 2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide

2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide (PubChem CID 119048275) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
PubChem CID119048275
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)c1OC
InChIInChI=1S/C23H31N3O3/c1-16(2)25-9-11-26(12-10-25)19-14-17(3)13-18(15-19)24-23(27)20-7-6-8-21(28-4)22(20)29-5/h6-8,13-16H,9-12H2,1-5H3,(H,24,27)
InChIKeyXIOSDLQGVPBBLV-UHFFFAOYSA-N
XLogP3.79
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2,3-dimethoxybenzamide
CID 27397127
2,3-dimethoxy-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 20866504
N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide
CID 26524219
2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517455
N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide
CID 7533072
4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866738
2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141454

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide (CID 119048275) is 2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2cc(C)cc(N3CCN(C(C)C)CC3)c2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is XIOSDLQGVPBBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16(2)25-9-11-26(12-10-25)19-14-17(3)13-18(15-19)24-23(27)20-7-6-8-21(28-4)22(20)29-5/h6-8,13-16H,9-12H2,1-5H3,(H,24,27).
What are the key properties of 2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 397.52 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 119048275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).