N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide

C18H22N2O2 — CID 10685494

IUPACN-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc2c(c1)c1c(n2C)CCC1CNC(=O)C1CC1
InChIInChI=1S/C18H22N2O2/c1-20-15-8-6-13(22-2)9-14(15)17-12(5-7-16(17)20)10-19-18(21)11-3-4-11/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,19,21)
InChIKeyAOIKAWVKVUODOC-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.74
Rot. Bonds4

About N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide

N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide (PubChem CID 10685494) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide
PubChem CID10685494
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc2c(c1)c1c(n2C)CCC1CNC(=O)C1CC1
InChIInChI=1S/C18H22N2O2/c1-20-15-8-6-13(22-2)9-14(15)17-12(5-7-16(17)20)10-19-18(21)11-3-4-11/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,19,21)
InChIKeyAOIKAWVKVUODOC-UHFFFAOYSA-N
XLogP2.74
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate
CID 101347837
(2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine
CID 10563187
7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide
CID 54541909
N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
CID 10827392
methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate
CID 102568775
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine
CID 84631436
N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide
CID 15461744
N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 47328613
1-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-1-yl)-N-methylmethanamine
CID 84637264
2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 96679476
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide (CID 10685494) is N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide is COc1ccc2c(c1)c1c(n2C)CCC1CNC(=O)C1CC1.
What is the InChIKey of N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide?
The InChIKey is AOIKAWVKVUODOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-20-15-8-6-13(22-2)9-14(15)17-12(5-7-16(17)20)10-19-18(21)11-3-4-11/h6,8-9,11-12H,3-5,7,10H2,1-2H3,(H,19,21).
What are the key properties of N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide?
N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 10685494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).