4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide

C31H33N3O4 — CID 26057672

IUPAC4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C31H33N3O4/c1-2-38-25-17-15-24(16-18-25)32-29(35)22-11-13-23(14-12-22)33-30(36)26-8-4-5-9-27(26)31(37)34-20-19-21-7-3-6-10-28(21)34/h3,6-7,10-18,26-27H,2,4-5,8-9,19-20H2,1H3,(H,32,35)(H,33,36)/t26-,27-/m0/s1
InChIKeyHMWWESMOTUMPDD-SVBPBHIXSA-N
MW511.62 g/mol
LogP5.67
Rot. Bonds7

About 4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide

4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 26057672) has the molecular formula C31H33N3O4 and a molecular weight of 511.62 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID26057672
Molecular FormulaC31H33N3O4
Molecular Weight511.62 g/mol
Exact Mass511.25
IUPAC Name4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)N3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C31H33N3O4/c1-2-38-25-17-15-24(16-18-25)32-29(35)22-11-13-23(14-12-22)33-30(36)26-8-4-5-9-27(26)31(37)34-20-19-21-7-3-6-10-28(21)34/h3,6-7,10-18,26-27H,2,4-5,8-9,19-20H2,1H3,(H,32,35)(H,33,36)/t26-,27-/m0/s1
InChIKeyHMWWESMOTUMPDD-SVBPBHIXSA-N
XLogP5.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide with MolForge

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Related Compounds

methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 55347711
cis-(1S,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-(3,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 30880312
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109162480
2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 46421494
2-(2,3-dihydroindole-1-carbonyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 55577425
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9105631
N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141370
methyl (E)-4-[[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]but-2-enoate
CID 146095874
2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 42893823
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
2-(2,3-dihydroindole-1-carbonyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 51166570
trans-(1S,2S)-2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 7366932

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide (CID 26057672) is 4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)N3CCc4ccccc43)cc2)cc1.
What is the InChIKey of 4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is HMWWESMOTUMPDD-SVBPBHIXSA-N. The full InChI is InChI=1S/C31H33N3O4/c1-2-38-25-17-15-24(16-18-25)32-29(35)22-11-13-23(14-12-22)33-30(36)26-8-4-5-9-27(26)31(37)34-20-19-21-7-3-6-10-28(21)34/h3,6-7,10-18,26-27H,2,4-5,8-9,19-20H2,1H3,(H,32,35)(H,33,36)/t26-,27-/m0/s1.
What are the key properties of 4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide?
4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 511.62 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 26057672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).