2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide

C24H25N3O3 — CID 42893823

IUPAC2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
SMILESCc1nc2cc(NC(=O)C3CCCCC3C(=O)N3CCc4ccccc43)ccc2o1
InChIInChI=1S/C24H25N3O3/c1-15-25-20-14-17(10-11-22(20)30-15)26-23(28)18-7-3-4-8-19(18)24(29)27-13-12-16-6-2-5-9-21(16)27/h2,5-6,9-11,14,18-19H,3-4,7-8,12-13H2,1H3,(H,26,28)
InChIKeyGIFCAAARJVFCNP-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.47
Rot. Bonds3

About 2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide

2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 42893823) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
PubChem CID42893823
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
SMILESCc1nc2cc(NC(=O)C3CCCCC3C(=O)N3CCc4ccccc43)ccc2o1
InChIInChI=1S/C24H25N3O3/c1-15-25-20-14-17(10-11-22(20)30-15)26-23(28)18-7-3-4-8-19(18)24(29)27-13-12-16-6-2-5-9-21(16)27/h2,5-6,9-11,14,18-19H,3-4,7-8,12-13H2,1H3,(H,26,28)
InChIKeyGIFCAAARJVFCNP-UHFFFAOYSA-N
XLogP4.47
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroindole-1-carbonyl)-N-(3-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 46421494
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
methyl 2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]cyclopentane-1-carboxylate
CID 75448517
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 55969198
4-[[(1S,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26057672
N-(3,4-difluorophenyl)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141406
2-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974727
2-(2,3-dihydroindole-1-carbonyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 51166570
(3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 38747759
N-(3-acetamidophenyl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141456
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 109141468

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide (CID 42893823) is 2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide is Cc1nc2cc(NC(=O)C3CCCCC3C(=O)N3CCc4ccccc43)ccc2o1.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is GIFCAAARJVFCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15-25-20-14-17(10-11-22(20)30-15)26-23(28)18-7-3-4-8-19(18)24(29)27-13-12-16-6-2-5-9-21(16)27/h2,5-6,9-11,14,18-19H,3-4,7-8,12-13H2,1H3,(H,26,28).
What are the key properties of 2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide?
2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 42893823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).