2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide

C22H20N2O2 — CID 94027165

IUPAC2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
SMILESCC[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-2-18(15-8-4-3-5-9-15)23-20(25)14-24-19-13-7-11-16-10-6-12-17(21(16)19)22(24)26/h3-13,18H,2,14H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeySNFBLXDATAKEQK-GOSISDBHSA-N
MW344.41 g/mol
LogP4.07
Rot. Bonds5

About 2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide

2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide (PubChem CID 94027165) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
PubChem CID94027165
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide
SMILESCC[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-2-18(15-8-4-3-5-9-15)23-20(25)14-24-19-13-7-11-16-10-6-12-17(21(16)19)22(24)26/h3-13,18H,2,14H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeySNFBLXDATAKEQK-GOSISDBHSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 133201550
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
CID 3156933
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylpentyl)acetamide
CID 3678187
N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 55690067
2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 1085704
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 53215949
4-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-phenylpropyl]butanamide
CID 92685405
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
N-[1-(1-adamantyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 42883537
N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 893347
methyl 2-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
CID 1084274

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide?
The IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide (CID 94027165) is 2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide?
The canonical SMILES for 2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide is CC[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccccc1.
What is the InChIKey of 2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide?
The InChIKey is SNFBLXDATAKEQK-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-18(15-8-4-3-5-9-15)23-20(25)14-24-19-13-7-11-16-10-6-12-17(21(16)19)22(24)26/h3-13,18H,2,14H2,1H3,(H,23,25)/t18-/m1/s1.
What are the key properties of 2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide?
2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide has a molecular weight of 344.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1-phenylpropyl]acetamide is sourced from PubChem (CID 94027165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).