N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide

C20H29N3O2 — CID 86936630

IUPACN-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
SMILESCC(C)Cn1cc(C(=O)NC(C)(CC(C)C)C(N)=O)c2ccccc21
InChIInChI=1S/C20H29N3O2/c1-13(2)10-20(5,19(21)25)22-18(24)16-12-23(11-14(3)4)17-9-7-6-8-15(16)17/h6-9,12-14H,10-11H2,1-5H3,(H2,21,25)(H,22,24)
InChIKeyMQYDTOBCGOSIFT-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.32
Rot. Bonds7

About N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide

N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide (PubChem CID 86936630) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
PubChem CID86936630
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
SMILESCC(C)Cn1cc(C(=O)NC(C)(CC(C)C)C(N)=O)c2ccccc21
InChIInChI=1S/C20H29N3O2/c1-13(2)10-20(5,19(21)25)22-18(24)16-12-23(11-14(3)4)17-9-7-6-8-15(16)17/h6-9,12-14H,10-11H2,1-5H3,(H2,21,25)(H,22,24)
InChIKeyMQYDTOBCGOSIFT-UHFFFAOYSA-N
XLogP3.32
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
CID 110900843
[2-(methylamino)-2-oxoethyl] 1-(2-methylpropyl)indole-3-carboxylate
CID 87020117
N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 87036364
(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 102235826
3,3-dimethyl-N-[1-[1-(2-methylpropyl)indole-3-carbonyl]azetidin-3-yl]butanamide
CID 167972694
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide
CID 56568890
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 56523326
1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide
CID 55961998
N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 53015565
N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide
CID 129375242
(3-fluorophenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 170857242
(3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 110900774

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide (CID 86936630) is N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide is CC(C)Cn1cc(C(=O)NC(C)(CC(C)C)C(N)=O)c2ccccc21.
What is the InChIKey of N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide?
The InChIKey is MQYDTOBCGOSIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13(2)10-20(5,19(21)25)22-18(24)16-12-23(11-14(3)4)17-9-7-6-8-15(16)17/h6-9,12-14H,10-11H2,1-5H3,(H2,21,25)(H,22,24).
What are the key properties of N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide?
N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethyl-1-oxopentan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide is sourced from PubChem (CID 86936630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).