2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid

C24H22N2O4 — CID 22740410

IUPAC2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2CCCc1ccccc1
InChIInChI=1S/C24H22N2O4/c25-24(29)17-10-4-11-18-22(17)23-19(12-5-13-20(23)30-15-21(27)28)26(18)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-13H,6,9,14-15H2,(H2,25,29)(H,27,28)
InChIKeyHYRPHZSEGSEBRI-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.99
Rot. Bonds8

About 2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid

2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid (PubChem CID 22740410) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid
PubChem CID22740410
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2CCCc1ccccc1
InChIInChI=1S/C24H22N2O4/c25-24(29)17-10-4-11-18-22(17)23-19(12-5-13-20(23)30-15-21(27)28)26(18)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-13H,6,9,14-15H2,(H2,25,29)(H,27,28)
InChIKeyHYRPHZSEGSEBRI-UHFFFAOYSA-N
XLogP3.99
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
CID 10137599
2-[5-carbamoyl-9-[2-(2,3-difluorophenyl)ethyl]carbazol-4-yl]oxyacetic acid
CID 154451965
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 10207176
2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid
CID 22741302
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid
CID 70241092
2-[2-butyl-5-carbamoyl-9-[(4-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 70240902
2-(9-benzyl-5-carbamoyl-2-thiophen-2-ylcarbazol-4-yl)oxyacetic acid
CID 22337722
2-[9-[(3-benzylphenyl)methyl]-5-carbamoyl-2-propan-2-ylcarbazol-4-yl]oxyacetic acid
CID 21264312
2-[5-carbamoyl-2-ethyl-9-[(2-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 21264313
2-[2-butyl-5-carbamoyl-9-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 151626798
2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid
CID 143459807

Frequently Asked Questions

What is the IUPAC name of 2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid?
The IUPAC name of 2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid (CID 22740410) is 2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid?
The canonical SMILES for 2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid is NC(=O)c1cccc2c1c1c(OCC(=O)O)cccc1n2CCCc1ccccc1.
What is the InChIKey of 2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid?
The InChIKey is HYRPHZSEGSEBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c25-24(29)17-10-4-11-18-22(17)23-19(12-5-13-20(23)30-15-21(27)28)26(18)14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-13H,6,9,14-15H2,(H2,25,29)(H,27,28).
What are the key properties of 2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid?
2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid has a molecular weight of 402.45 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid is sourced from PubChem (CID 22740410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).