4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide

C17H23N3O2 — CID 46420954

IUPAC4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1cc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C17H23N3O2/c1-5-6-18-16(21)12(4)19-17(22)15-9-13-11(3)7-10(2)8-14(13)20-15/h7-9,12,20H,5-6H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyOTVPQOLEHFJDIX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.43
Rot. Bonds5

About 4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide

4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide (PubChem CID 46420954) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide
PubChem CID46420954
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1cc2c(C)cc(C)cc2[nH]1
InChIInChI=1S/C17H23N3O2/c1-5-6-18-16(21)12(4)19-17(22)15-9-13-11(3)7-10(2)8-14(13)20-15/h7-9,12,20H,5-6H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyOTVPQOLEHFJDIX-UHFFFAOYSA-N
XLogP2.43
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide
CID 124674116
N-(1-methoxypropan-2-yl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2823670
N-[(2S)-1-methoxypropan-2-yl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 6934364
(2S)-2-[[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694707
3-fluoro-4-methyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41089115
(E)-2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]hex-4-enoic acid
CID 120692866
4,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide
CID 38432063
N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 110022441
N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide
CID 46663449
4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide
CID 56558142
N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide
CID 43221777
N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 111464297

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide (CID 46420954) is 4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide is CCCNC(=O)C(C)NC(=O)c1cc2c(C)cc(C)cc2[nH]1.
What is the InChIKey of 4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is OTVPQOLEHFJDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-6-18-16(21)12(4)19-17(22)15-9-13-11(3)7-10(2)8-14(13)20-15/h7-9,12,20H,5-6H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide?
4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46420954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).