N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C19H25N3O2 — CID 46581679

IUPACN-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C19H25N3O2/c1-12(2)18(23)20-10-11-21-19(24)15-8-5-7-14-13-6-3-4-9-16(13)22-17(14)15/h5,7-8,12,22H,3-4,6,9-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRZPSSNBBUMCIBB-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.55
Rot. Bonds5

About N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 46581679) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID46581679
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C19H25N3O2/c1-12(2)18(23)20-10-11-21-19(24)15-8-5-7-14-13-6-3-4-9-16(13)22-17(14)15/h5,7-8,12,22H,3-4,6,9-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRZPSSNBBUMCIBB-UHFFFAOYSA-N
XLogP2.55
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55868770
2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid
CID 23498614
N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55814693
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523379
N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55811546
2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888414
N-methyl-N-[4-(methylamino)-4-oxobutan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56754565
N-[3-(1H-benzimidazol-2-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 39688262
8-ethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 21239685
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 94040968
N-methyl-N-[2-[methyl(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonyl)amino]ethyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
CID 166185537
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 133267951

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 46581679) is N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC(C)C(=O)NCCNC(=O)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is RZPSSNBBUMCIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)18(23)20-10-11-21-19(24)15-8-5-7-14-13-6-3-4-9-16(13)22-17(14)15/h5,7-8,12,22H,3-4,6,9-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 46581679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).