6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide

C21H24N2O3 — CID 60515636

IUPAC6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCOc3ccc(C(C)C)cc3)[nH]c2c1
InChIInChI=1S/C21H24N2O3/c1-14(2)15-4-7-17(8-5-15)26-11-10-22-21(24)20-12-16-6-9-18(25-3)13-19(16)23-20/h4-9,12-14,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyPCKPHHODDYGGEL-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.11
Rot. Bonds7

About 6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide

6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide (PubChem CID 60515636) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide
PubChem CID60515636
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCOc3ccc(C(C)C)cc3)[nH]c2c1
InChIInChI=1S/C21H24N2O3/c1-14(2)15-4-7-17(8-5-15)26-11-10-22-21(24)20-12-16-6-9-18(25-3)13-19(16)23-20/h4-9,12-14,23H,10-11H2,1-3H3,(H,22,24)
InChIKeyPCKPHHODDYGGEL-UHFFFAOYSA-N
XLogP4.11
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 75417280
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide
CID 99903134
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 110833539
3,4,5-trimethoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100338
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 110691003
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
CID 113100320

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide (CID 60515636) is 6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCCOc3ccc(C(C)C)cc3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide?
The InChIKey is PCKPHHODDYGGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14(2)15-4-7-17(8-5-15)26-11-10-22-21(24)20-12-16-6-9-18(25-3)13-19(16)23-20/h4-9,12-14,23H,10-11H2,1-3H3,(H,22,24).
What are the key properties of 6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide?
6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 60515636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).