2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide

C18H21N3O3 — CID 95719956

IUPAC2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide
SMILESO=C(C[C@H]1COCCN1)Nc1ccc2c3c([nH]c2c1)C(=O)CCC3
InChIInChI=1S/C18H21N3O3/c22-16-3-1-2-14-13-5-4-11(8-15(13)21-18(14)16)20-17(23)9-12-10-24-7-6-19-12/h4-5,8,12,19,21H,1-3,6-7,9-10H2,(H,20,23)/t12-/m0/s1
InChIKeyQRAJTYUAIDTXLW-LBPRGKRZSA-N
MW327.38 g/mol
LogP2.00
Rot. Bonds3

About 2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide

2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide (PubChem CID 95719956) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide
PubChem CID95719956
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide
SMILESO=C(C[C@H]1COCCN1)Nc1ccc2c3c([nH]c2c1)C(=O)CCC3
InChIInChI=1S/C18H21N3O3/c22-16-3-1-2-14-13-5-4-11(8-15(13)21-18(14)16)20-17(23)9-12-10-24-7-6-19-12/h4-5,8,12,19,21H,1-3,6-7,9-10H2,(H,20,23)/t12-/m0/s1
InChIKeyQRAJTYUAIDTXLW-LBPRGKRZSA-N
XLogP2.00
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-dioxolan-2-yl)phenyl]-2-morpholin-3-ylacetamide
CID 106911781
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrrolidin-2-ylacetamide
CID 61370404
N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride
CID 137064245
2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide
CID 95726365
N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-morpholin-3-ylacetamide
CID 56908804
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119860413
N-[4-(oxolan-3-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119798692
2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116919885
N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide
CID 95712846
N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-morpholin-3-ylacetamide
CID 56889679
2-[(3R)-morpholin-3-yl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide
CID 95727024
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide
CID 95720015

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide?
The IUPAC name of 2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide (CID 95719956) is 2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide?
The canonical SMILES for 2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide is O=C(C[C@H]1COCCN1)Nc1ccc2c3c([nH]c2c1)C(=O)CCC3.
What is the InChIKey of 2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide?
The InChIKey is QRAJTYUAIDTXLW-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-16-3-1-2-14-13-5-4-11(8-15(13)21-18(14)16)20-17(23)9-12-10-24-7-6-19-12/h4-5,8,12,19,21H,1-3,6-7,9-10H2,(H,20,23)/t12-/m0/s1.
What are the key properties of 2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide?
2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-morpholin-3-yl]-N-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)acetamide is sourced from PubChem (CID 95719956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).