N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide

C23H27N3O3 — CID 51498846

IUPACN-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide
SMILESCCc1[nH]c2ccc(C(=O)NC[C@@H](c3ccc4c(c3)OCO4)N(C)C)cc2c1C
InChIInChI=1S/C23H27N3O3/c1-5-18-14(2)17-10-16(6-8-19(17)25-18)23(27)24-12-20(26(3)4)15-7-9-21-22(11-15)29-13-28-21/h6-11,20,25H,5,12-13H2,1-4H3,(H,24,27)/t20-/m0/s1
InChIKeyHISSEDXBQZJDRK-FQEVSTJZSA-N
MW393.49 g/mol
LogP3.80
Rot. Bonds6

About N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide

N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide (PubChem CID 51498846) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide
PubChem CID51498846
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide
SMILESCCc1[nH]c2ccc(C(=O)NC[C@@H](c3ccc4c(c3)OCO4)N(C)C)cc2c1C
InChIInChI=1S/C23H27N3O3/c1-5-18-14(2)17-10-16(6-8-19(17)25-18)23(27)24-12-20(26(3)4)15-7-9-21-22(11-15)29-13-28-21/h6-11,20,25H,5,12-13H2,1-4H3,(H,24,27)/t20-/m0/s1
InChIKeyHISSEDXBQZJDRK-FQEVSTJZSA-N
XLogP3.80
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3,4-dichlorobenzamide
CID 110287451
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3,4-dimethoxybenzamide
CID 42456106
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42456370
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 42455962
1-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3-(2-methoxyethyl)urea
CID 110306573
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 51498894
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 4827380
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-3-tert-butyl-5-methyl-1,2-oxazole-4-carboxamide
CID 110427593
N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 3953863
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 42219112
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]oxolane-2-carboxamide
CID 110287448
N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide
CID 120651877

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide (CID 51498846) is N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide is CCc1[nH]c2ccc(C(=O)NC[C@@H](c3ccc4c(c3)OCO4)N(C)C)cc2c1C.
What is the InChIKey of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide?
The InChIKey is HISSEDXBQZJDRK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-18-14(2)17-10-16(6-8-19(17)25-18)23(27)24-12-20(26(3)4)15-7-9-21-22(11-15)29-13-28-21/h6-11,20,25H,5,12-13H2,1-4H3,(H,24,27)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide?
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-2-ethyl-3-methyl-1H-indole-5-carboxamide is sourced from PubChem (CID 51498846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).