N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide

C17H23N3O2 — CID 119271757

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3(N)CCCCC3)ccc21
InChIInChI=1S/C17H23N3O2/c1-12(21)20-10-7-13-11-14(5-6-15(13)20)19-16(22)17(18)8-3-2-4-9-17/h5-6,11H,2-4,7-10,18H2,1H3,(H,19,22)
InChIKeyYAWCLUXNYYLMQZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.20
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide (PubChem CID 119271757) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide
PubChem CID119271757
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3(N)CCCCC3)ccc21
InChIInChI=1S/C17H23N3O2/c1-12(21)20-10-7-13-11-14(5-6-15(13)20)19-16(22)17(18)8-3-2-4-9-17/h5-6,11H,2-4,7-10,18H2,1H3,(H,19,22)
InChIKeyYAWCLUXNYYLMQZ-UHFFFAOYSA-N
XLogP2.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-aminocyclohexane-1-carboxamide
CID 119312870
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452391
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methylpyrrolidine-3-carboxamide
CID 63139280
N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide
CID 17467776
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide
CID 46948542
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 33307145
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-2-methylpropanamide;hydrochloride
CID 119312863
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-2-(methylamino)propanamide
CID 62836406

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide (CID 119271757) is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide is CC(=O)N1CCc2cc(NC(=O)C3(N)CCCCC3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide?
The InChIKey is YAWCLUXNYYLMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(21)20-10-7-13-11-14(5-6-15(13)20)19-16(22)17(18)8-3-2-4-9-17/h5-6,11H,2-4,7-10,18H2,1H3,(H,19,22).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide is sourced from PubChem (CID 119271757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).