N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C19H23N3O3 — CID 68909734

IUPACN-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)N[C@H]1CCOC1
InChIInChI=1S/C19H23N3O3/c23-18(21-13-7-8-25-11-13)10-20-19(24)12-5-6-17-15(9-12)14-3-1-2-4-16(14)22-17/h5-6,9,13,22H,1-4,7-8,10-11H2,(H,20,24)(H,21,23)/t13-/m0/s1
InChIKeyPQFFFJWEXRAQQA-ZDUSSCGKSA-N
MW341.41 g/mol
LogP1.68
Rot. Bonds4

About N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 68909734) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID68909734
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)N[C@H]1CCOC1
InChIInChI=1S/C19H23N3O3/c23-18(21-13-7-8-25-11-13)10-20-19(24)12-5-6-17-15(9-12)14-3-1-2-4-16(14)22-17/h5-6,9,13,22H,1-4,7-8,10-11H2,(H,20,24)(H,21,23)/t13-/m0/s1
InChIKeyPQFFFJWEXRAQQA-ZDUSSCGKSA-N
XLogP1.68
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 68909734) is N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)N[C@H]1CCOC1.
What is the InChIKey of N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is PQFFFJWEXRAQQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18(21-13-7-8-25-11-13)10-20-19(24)12-5-6-17-15(9-12)14-3-1-2-4-16(14)22-17/h5-6,9,13,22H,1-4,7-8,10-11H2,(H,20,24)(H,21,23)/t13-/m0/s1.
What are the key properties of N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 68909734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).