methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate

C19H28N2O4 — CID 156745807

IUPACmethyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)OC
InChIInChI=1S/C19H28N2O4/c1-6-7-8-12(18(24)25-5)21-17(23)16-11(2)15-13(20-16)9-19(3,4)10-14(15)22/h12,20H,6-10H2,1-5H3,(H,21,23)
InChIKeyPYUVENTVOSDSEA-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.94
Rot. Bonds6

About methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate

methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate (PubChem CID 156745807) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate
PubChem CID156745807
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namemethyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)OC
InChIInChI=1S/C19H28N2O4/c1-6-7-8-12(18(24)25-5)21-17(23)16-11(2)15-13(20-16)9-19(3,4)10-14(15)22/h12,20H,6-10H2,1-5H3,(H,21,23)
InChIKeyPYUVENTVOSDSEA-UHFFFAOYSA-N
XLogP2.94
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate with MolForge

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Related Compounds

3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170260610
3,6,6-trimethyl-4-oxo-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide
CID 156745829
N-[1-[(2-hydroxyphenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170260060
N-[1-[2-(difluoromethyl)anilino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 156745828
N-[1-[[cyclopropyl(phenyl)methyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170264245
N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170259946
N-[1-[[6-(2-aminoethoxy)-3-pyridinyl]amino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170259994
3,6,6-trimethyl-4-oxo-N-[(2S)-1-oxo-1-[(4-piperidin-1-ylphenyl)methylamino]hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide
CID 170259668
ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
CID 2517706
3,6,6-trimethyl-4-oxo-N-[1-(6-phenylmethoxy-1H-benzimidazol-2-yl)pentyl]-5,7-dihydro-1H-indole-2-carboxamide
CID 170155519
N-[(2S)-4-cyclopropyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]butan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 156745820
N-[(1S)-1-[6-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]pentyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 156745835

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate?
The IUPAC name of methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate (CID 156745807) is methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate is CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)OC.
What is the InChIKey of methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate?
The InChIKey is PYUVENTVOSDSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-6-7-8-12(18(24)25-5)21-17(23)16-11(2)15-13(20-16)9-19(3,4)10-14(15)22/h12,20H,6-10H2,1-5H3,(H,21,23).
What are the key properties of methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate?
methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate has a molecular weight of 348.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carbonyl)amino]hexanoate is sourced from PubChem (CID 156745807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).