(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide

C23H30N3O2+ — CID 8933608

IUPAC(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H](C)[NH+]3C[C@@H](C)O[C@H](C)C3)ccc21
InChIInChI=1S/C23H29N3O2/c1-5-26-21-9-7-6-8-19(21)20-12-18(10-11-22(20)26)24-23(27)17(4)25-13-15(2)28-16(3)14-25/h6-12,15-17H,5,13-14H2,1-4H3,(H,24,27)/p+1/t15-,16-,17+/m1/s1
InChIKeyJKJJFAUYGGYOAP-ZACQAIPSSA-O
MW380.51 g/mol
LogP2.83
Rot. Bonds4

About (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide

(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide (PubChem CID 8933608) has the molecular formula C23H30N3O2+ and a molecular weight of 380.51 g/mol. Its IUPAC name is (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide
PubChem CID8933608
Molecular FormulaC23H30N3O2+
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H](C)[NH+]3C[C@@H](C)O[C@H](C)C3)ccc21
InChIInChI=1S/C23H29N3O2/c1-5-26-21-9-7-6-8-19(21)20-12-18(10-11-22(20)26)24-23(27)17(4)25-13-15(2)28-16(3)14-25/h6-12,15-17H,5,13-14H2,1-4H3,(H,24,27)/p+1/t15-,16-,17+/m1/s1
InChIKeyJKJJFAUYGGYOAP-ZACQAIPSSA-O
XLogP2.83
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(9-ethylcarbazol-3-yl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 42911814
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-fluorophenyl)propanamide
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(2R)-N-(9-ethylcarbazol-3-yl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
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(2R)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
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trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide (CID 8933608) is (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[NH+]3C[C@@H](C)O[C@H](C)C3)ccc21.
What is the InChIKey of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
The InChIKey is JKJJFAUYGGYOAP-ZACQAIPSSA-O. The full InChI is InChI=1S/C23H29N3O2/c1-5-26-21-9-7-6-8-19(21)20-12-18(10-11-22(20)26)24-23(27)17(4)25-13-15(2)28-16(3)14-25/h6-12,15-17H,5,13-14H2,1-4H3,(H,24,27)/p+1/t15-,16-,17+/m1/s1.
What are the key properties of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide?
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide has a molecular weight of 380.51 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(9-ethylcarbazol-3-yl)propanamide is sourced from PubChem (CID 8933608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).