N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

C28H35N3O5 — CID 55676565

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1CC2CCCCC2N1C(=O)c1ccccc1OC
InChIInChI=1S/C28H35N3O5/c1-4-30(18-26(32)29-20-11-9-12-21(17-20)35-2)28(34)24-16-19-10-5-7-14-23(19)31(24)27(33)22-13-6-8-15-25(22)36-3/h6,8-9,11-13,15,17,19,23-24H,4-5,7,10,14,16,18H2,1-3H3,(H,29,32)
InChIKeyCXDXMMJLNLNSEZ-UHFFFAOYSA-N
MW493.60 g/mol
LogP3.96
Rot. Bonds8

About N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide (PubChem CID 55676565) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
PubChem CID55676565
Molecular FormulaC28H35N3O5
Molecular Weight493.60 g/mol
Exact Mass493.26
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1CC2CCCCC2N1C(=O)c1ccccc1OC
InChIInChI=1S/C28H35N3O5/c1-4-30(18-26(32)29-20-11-9-12-21(17-20)35-2)28(34)24-16-19-10-5-7-14-23(19)31(24)27(33)22-13-6-8-15-25(22)36-3/h6,8-9,11-13,15,17,19,23-24H,4-5,7,10,14,16,18H2,1-3H3,(H,29,32)
InChIKeyCXDXMMJLNLNSEZ-UHFFFAOYSA-N
XLogP3.96
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 55645756
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 55645419
ethyl 2-[3-[[1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]phenoxy]acetate
CID 55676683
1-(2-methoxybenzoyl)-N-phenyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 42958677
1-(2-methoxybenzoyl)-N-methyl-N-phenyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 55645577
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119292397
(2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119729072
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
CID 30839706
3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119729065
methyl (2S,3aR,7aR)-1-[2-(3-methoxyanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 129418894
1-cyclopentyl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55359330
N-(4-chloro-3-cyanophenyl)-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 55676497

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide (CID 55676565) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1CC2CCCCC2N1C(=O)c1ccccc1OC.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide?
The InChIKey is CXDXMMJLNLNSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-4-30(18-26(32)29-20-11-9-12-21(17-20)35-2)28(34)24-16-19-10-5-7-14-23(19)31(24)27(33)22-13-6-8-15-25(22)36-3/h6,8-9,11-13,15,17,19,23-24H,4-5,7,10,14,16,18H2,1-3H3,(H,29,32).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide has a molecular weight of 493.60 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-(2-methoxybenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide is sourced from PubChem (CID 55676565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).