N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C24H24N2O3 — CID 133201550

IUPACN-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCCC(NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H24N2O3/c1-4-19(17-11-12-21(29-3)15(2)13-17)25-22(27)14-26-20-10-6-8-16-7-5-9-18(23(16)20)24(26)28/h5-13,19H,4,14H2,1-3H3,(H,25,27)
InChIKeyNNRZGOROSBPRKH-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.38
Rot. Bonds6

About N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 133201550) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID133201550
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCCC(NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H24N2O3/c1-4-19(17-11-12-21(29-3)15(2)13-17)25-22(27)14-26-20-10-6-8-16-7-5-9-18(23(16)20)24(26)28/h5-13,19H,4,14H2,1-3H3,(H,25,27)
InChIKeyNNRZGOROSBPRKH-UHFFFAOYSA-N
XLogP4.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
CID 94027165
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073
2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36543552
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
CID 3156933
N-[1-(4-methoxy-3-methylphenyl)propyl]-3-naphthalen-1-ylpropanamide
CID 133161421
3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100604900
2-(4-ethylphenyl)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100585229
2-(4-ethylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202725
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202334
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100517764
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
2-(2,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100761254

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 133201550) is N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is CCC(NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is NNRZGOROSBPRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-4-19(17-11-12-21(29-3)15(2)13-17)25-22(27)14-26-20-10-6-8-16-7-5-9-18(23(16)20)24(26)28/h5-13,19H,4,14H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 133201550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).