2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one

C19H28N2O — CID 82258024

IUPAC2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESCC1Cc2cc(C(=O)C(C)NC3CCCCC3C)ccc2N1
InChIInChI=1S/C19H28N2O/c1-12-6-4-5-7-17(12)21-14(3)19(22)15-8-9-18-16(11-15)10-13(2)20-18/h8-9,11-14,17,20-21H,4-7,10H2,1-3H3
InChIKeyLNXSPDNSIMAOSQ-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.78
Rot. Bonds4

About 2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one

2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one (PubChem CID 82258024) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
PubChem CID82258024
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESCC1Cc2cc(C(=O)C(C)NC3CCCCC3C)ccc2N1
InChIInChI=1S/C19H28N2O/c1-12-6-4-5-7-17(12)21-14(3)19(22)15-8-9-18-16(11-15)10-13(2)20-18/h8-9,11-14,17,20-21H,4-7,10H2,1-3H3
InChIKeyLNXSPDNSIMAOSQ-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one with MolForge

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Related Compounds

2-(3-methylbutylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258040
2-(3-ethoxypropylamino)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82258026
cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
CID 82032485
3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82032484
2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82256439
2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82256446
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone
CID 82097094
2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone
CID 82256396
N-(2,4-dichlorophenyl)-2-[(2-methylcyclohexyl)amino]propanamide
CID 78636184
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The IUPAC name of 2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one (CID 82258024) is 2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one.
What is the SMILES notation for 2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The canonical SMILES for 2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one is CC1Cc2cc(C(=O)C(C)NC3CCCCC3C)ccc2N1.
What is the InChIKey of 2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The InChIKey is LNXSPDNSIMAOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-12-6-4-5-7-17(12)21-14(3)19(22)15-8-9-18-16(11-15)10-13(2)20-18/h8-9,11-14,17,20-21H,4-7,10H2,1-3H3.
What are the key properties of 2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one has a molecular weight of 300.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one is sourced from PubChem (CID 82258024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).