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

C28H30N4O2 — CID 166185537

IUPACN-methyl-N-[2-[methyl(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonyl)amino]ethyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
SMILESCN(CCN(C)C(=O)c1cccc2c3c([nH]c12)CCC3)C(=O)c1cccc2c3c([nH]c12)CCC3
InChIInChI=1S/C28H30N4O2/c1-31(27(33)21-11-3-9-19-17-7-5-13-23(17)29-25(19)21)15-16-32(2)28(34)22-12-4-10-20-18-8-6-14-24(18)30-26(20)22/h3-4,9-12,29-30H,5-8,13-16H2,1-2H3
InChIKeyJNNIBFOIGYBEJD-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.47
Rot. Bonds5

About 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

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 (PubChem CID 166185537) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonyl)amino]ethyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
PubChem CID166185537
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC NameN-methyl-N-[2-[methyl(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonyl)amino]ethyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
SMILESCN(CCN(C)C(=O)c1cccc2c3c([nH]c12)CCC3)C(=O)c1cccc2c3c([nH]c12)CCC3
InChIInChI=1S/C28H30N4O2/c1-31(27(33)21-11-3-9-19-17-7-5-13-23(17)29-25(19)21)15-16-32(2)28(34)22-12-4-10-20-18-8-6-14-24(18)30-26(20)22/h3-4,9-12,29-30H,5-8,13-16H2,1-2H3
InChIKeyJNNIBFOIGYBEJD-UHFFFAOYSA-N
XLogP4.47
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-methyl-N-[4-(methylamino)-4-oxobutan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56754565
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 33290510
propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888406
N-(1,1-dioxothiolan-3-yl)-N-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide
CID 42951546
N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888414
2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid
CID 23498614
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 33230329
6-(dimethylamino)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 23470505
8-ethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 21239685
N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46431053
(2-chlorophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888463

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(CCN(C)C(=O)c1cccc2c3c([nH]c12)CCC3)C(=O)c1cccc2c3c([nH]c12)CCC3.
What is the InChIKey of 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?
The InChIKey is JNNIBFOIGYBEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-31(27(33)21-11-3-9-19-17-7-5-13-23(17)29-25(19)21)15-16-32(2)28(34)22-12-4-10-20-18-8-6-14-24(18)30-26(20)22/h3-4,9-12,29-30H,5-8,13-16H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 454.57 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166185537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).