[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid

C22H24N2O5 — CID 67073733

IUPAC[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid
SMILESCC[C@H](C)COc1ccc([C@H](CN2C(=O)c3ccccc3C2=O)NC(=O)O)cc1
InChIInChI=1S/C22H24N2O5/c1-3-14(2)13-29-16-10-8-15(9-11-16)19(23-22(27)28)12-24-20(25)17-6-4-5-7-18(17)21(24)26/h4-11,14,19,23H,3,12-13H2,1-2H3,(H,27,28)/t14-,19-/m0/s1
InChIKeyLZDVHTQPBSDZOG-LIRRHRJNSA-N
MW396.44 g/mol
LogP3.72
Rot. Bonds8

About [(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid

[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid (PubChem CID 67073733) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid
PubChem CID67073733
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid
SMILESCC[C@H](C)COc1ccc([C@H](CN2C(=O)c3ccccc3C2=O)NC(=O)O)cc1
InChIInChI=1S/C22H24N2O5/c1-3-14(2)13-29-16-10-8-15(9-11-16)19(23-22(27)28)12-24-20(25)17-6-4-5-7-18(17)21(24)26/h4-11,14,19,23H,3,12-13H2,1-2H3,(H,27,28)/t14-,19-/m0/s1
InChIKeyLZDVHTQPBSDZOG-LIRRHRJNSA-N
XLogP3.72
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid?
The IUPAC name of [(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid (CID 67073733) is [(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid.
What is the SMILES notation for [(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid?
The canonical SMILES for [(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid is CC[C@H](C)COc1ccc([C@H](CN2C(=O)c3ccccc3C2=O)NC(=O)O)cc1.
What is the InChIKey of [(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid?
The InChIKey is LZDVHTQPBSDZOG-LIRRHRJNSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-3-14(2)13-29-16-10-8-15(9-11-16)19(23-22(27)28)12-24-20(25)17-6-4-5-7-18(17)21(24)26/h4-11,14,19,23H,3,12-13H2,1-2H3,(H,27,28)/t14-,19-/m0/s1.
What are the key properties of [(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid?
[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid has a molecular weight of 396.44 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(1,3-dioxoisoindol-2-yl)-1-[4-[(2S)-2-methylbutoxy]phenyl]ethyl]carbamic acid is sourced from PubChem (CID 67073733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).