N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide

C18H22N2O4 — CID 124875145

IUPACN-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@@H]3CC[C@H]4OCCO[C@@H]4C3)[nH]c2c1
InChIInChI=1S/C18H22N2O4/c1-22-13-4-2-11-8-15(20-14(11)10-13)18(21)19-12-3-5-16-17(9-12)24-7-6-23-16/h2,4,8,10,12,16-17,20H,3,5-7,9H2,1H3,(H,19,21)/t12-,16-,17-/m1/s1
InChIKeyGEQCVJXJNHOMRJ-CSMYWGQOSA-N
MW330.38 g/mol
LogP2.24
Rot. Bonds3

About N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide

N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 124875145) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID124875145
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@@H]3CC[C@H]4OCCO[C@@H]4C3)[nH]c2c1
InChIInChI=1S/C18H22N2O4/c1-22-13-4-2-11-8-15(20-14(11)10-13)18(21)19-12-3-5-16-17(9-12)24-7-6-23-16/h2,4,8,10,12,16-17,20H,3,5-7,9H2,1H3,(H,19,21)/t12-,16-,17-/m1/s1
InChIKeyGEQCVJXJNHOMRJ-CSMYWGQOSA-N
XLogP2.24
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
CID 97040111
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
CID 71785787
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
CID 97040108
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-6-methoxy-1H-indole-2-carboxamide
CID 139008147
cis-(1R,3S)-3-[[6-(trifluoromethoxy)-1H-indole-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677418
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide
CID 125431301
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-2-methoxybenzamide
CID 124892081
N-[(3S,4R)-3-hydroxyoxan-4-yl]-5-methoxy-1H-indole-2-carboxamide
CID 91762188
N-(4-hydroxycyclohexyl)-6-methyl-1H-indole-2-carboxamide
CID 110885323
cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677007
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-[(3S)-3-(6-methoxy-1H-indol-2-yl)-4-methylcyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 126607362

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide (CID 124875145) is N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N[C@@H]3CC[C@H]4OCCO[C@@H]4C3)[nH]c2c1.
What is the InChIKey of N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is GEQCVJXJNHOMRJ-CSMYWGQOSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-22-13-4-2-11-8-15(20-14(11)10-13)18(21)19-12-3-5-16-17(9-12)24-7-6-23-16/h2,4,8,10,12,16-17,20H,3,5-7,9H2,1H3,(H,19,21)/t12-,16-,17-/m1/s1.
What are the key properties of N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide?
N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 124875145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).