3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide

C13H27N3O2 — CID 113496977

IUPAC3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide
SMILESCCN(CC(=O)NC)C(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C13H27N3O2/c1-6-16(9-11(17)15-5)12(18)7-10(14)8-13(2,3)4/h10H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyFCOJJJGGQMCGFI-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.73
Rot. Bonds6

About 3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide

3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide (PubChem CID 113496977) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide
PubChem CID113496977
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide
SMILESCCN(CC(=O)NC)C(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C13H27N3O2/c1-6-16(9-11(17)15-5)12(18)7-10(14)8-13(2,3)4/h10H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyFCOJJJGGQMCGFI-UHFFFAOYSA-N
XLogP0.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 60837009
2-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 43579092
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 61156283
N-ethyl-3-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 62837362
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
CID 43579107
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43579108
2-[(3-amino-5,5-dimethylhexanoyl)-prop-2-enylamino]acetic acid
CID 113497085
(3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 95305147
3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide
CID 113496982
3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821374
N-ethyl-3-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 62832119
3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 61037410

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide?
The IUPAC name of 3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide (CID 113496977) is 3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide.
What is the SMILES notation for 3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide?
The canonical SMILES for 3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide is CCN(CC(=O)NC)C(=O)CC(N)CC(C)(C)C.
What is the InChIKey of 3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide?
The InChIKey is FCOJJJGGQMCGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-16(9-11(17)15-5)12(18)7-10(14)8-13(2,3)4/h10H,6-9,14H2,1-5H3,(H,15,17).
What are the key properties of 3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide?
3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide has a molecular weight of 257.38 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide is sourced from PubChem (CID 113496977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).