N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide

C21H31N3O2 — CID 16806720

IUPACN-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide
SMILESCCN(CC)CCCC(C)NC(=O)C(=O)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C21H31N3O2/c1-6-24(7-2)14-10-11-15(3)22-21(26)20(25)19-16(4)23(5)18-13-9-8-12-17(18)19/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3,(H,22,26)
InChIKeyCHJQQOUHEFNWQT-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.30
Rot. Bonds9

About N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide

N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide (PubChem CID 16806720) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide
PubChem CID16806720
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide
SMILESCCN(CC)CCCC(C)NC(=O)C(=O)c1c(C)n(C)c2ccccc12
InChIInChI=1S/C21H31N3O2/c1-6-24(7-2)14-10-11-15(3)22-21(26)20(25)19-16(4)23(5)18-13-9-8-12-17(18)19/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3,(H,22,26)
InChIKeyCHJQQOUHEFNWQT-UHFFFAOYSA-N
XLogP3.30
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-5-(diethylamino)pentan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117299
1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 82294422
CID 10617961
CID 10617961
methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
CID 112616629
N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
CID 43996617
1-(1,2-dimethylindol-3-yl)-2-(methylamino)butan-1-one
CID 82294421
N-[5-(diethylamino)pentan-2-yl]-2-(2-hydroxyphenyl)acetamide
CID 78916581
2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 16935358
2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide
CID 10804691
2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 7087278
2-(1,2-dimethylindol-3-yl)-N-ethyl-N-(4-ethylphenyl)-2-oxoacetamide
CID 7087464
butyl 4-[[2-(1,2-dimethylindol-3-yl)-2-oxoacetyl]amino]benzoate
CID 7087358

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide (CID 16806720) is N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide is CCN(CC)CCCC(C)NC(=O)C(=O)c1c(C)n(C)c2ccccc12.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide?
The InChIKey is CHJQQOUHEFNWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-6-24(7-2)14-10-11-15(3)22-21(26)20(25)19-16(4)23(5)18-13-9-8-12-17(18)19/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3,(H,22,26).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide?
N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide has a molecular weight of 357.50 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 16806720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).