2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide

C13H28N2O2 — CID 55000825

IUPAC2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)N(CCOC)C(C)CC
InChIInChI=1S/C13H28N2O2/c1-6-10(3)12(14)13(16)15(8-9-17-5)11(4)7-2/h10-12H,6-9,14H2,1-5H3
InChIKeyUKWHHQUYFFDLTQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.63
Rot. Bonds8

About 2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide

2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide (PubChem CID 55000825) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
PubChem CID55000825
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)N(CCOC)C(C)CC
InChIInChI=1S/C13H28N2O2/c1-6-10(3)12(14)13(16)15(8-9-17-5)11(4)7-2/h10-12H,6-9,14H2,1-5H3
InChIKeyUKWHHQUYFFDLTQ-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylpentanamide
CID 61446871
2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
CID 81088100
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide
CID 104861622
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide
CID 54880078
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948774
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948115
(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
CID 63009481
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylpentanamide
CID 54871190
(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide
CID 76924055
2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76911958

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide (CID 55000825) is 2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide is CCC(C)C(N)C(=O)N(CCOC)C(C)CC.
What is the InChIKey of 2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide?
The InChIKey is UKWHHQUYFFDLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-10(3)12(14)13(16)15(8-9-17-5)11(4)7-2/h10-12H,6-9,14H2,1-5H3.
What are the key properties of 2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide?
2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide is sourced from PubChem (CID 55000825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).