6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide

C14H29N3O2 — CID 103109224

IUPAC6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide
SMILESCCN(C)C(=O)C(C)NC(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H29N3O2/c1-6-17(5)13(19)11(2)16-12(18)7-8-14(3,4)9-10-15/h11H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyLJLHZWYXDWUWFX-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.12
Rot. Bonds8

About 6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide

6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide (PubChem CID 103109224) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide
PubChem CID103109224
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide
SMILESCCN(C)C(=O)C(C)NC(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H29N3O2/c1-6-17(5)13(19)11(2)16-12(18)7-8-14(3,4)9-10-15/h11H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyLJLHZWYXDWUWFX-UHFFFAOYSA-N
XLogP1.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Brivaracetam
CID 9837243
Valrocemide
CID 6918293
(R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-2-isobutylsuccinamide
CID 9904965
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 11735999
1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide
CID 11651747
(2R)-N-[(2R)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 44313734
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide
CID 11218678
2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11254190
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide
CID 11322108
rac-Brivaracetam
CID 9834332
2-(methylamino)-N-[(3S)-5-methyl-2-oxohexan-3-yl]acetamide
CID 59002736
2-(cyclohexylformamido)-N,N-dimethylacetamide
CID 800131

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide (CID 103109224) is 6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide is CCN(C)C(=O)C(C)NC(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide?
The InChIKey is LJLHZWYXDWUWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-17(5)13(19)11(2)16-12(18)7-8-14(3,4)9-10-15/h11H,6-10,15H2,1-5H3,(H,16,18).
What are the key properties of 6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide?
6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide has a molecular weight of 271.40 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide is sourced from PubChem (CID 103109224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).