4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide

C13H28N2O2 — CID 80542973

IUPAC4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide
SMILESCCC(CC)N(CCOC)C(=O)C(C)CCN
InChIInChI=1S/C13H28N2O2/c1-5-12(6-2)15(9-10-17-4)13(16)11(3)7-8-14/h11-12H,5-10,14H2,1-4H3
InChIKeyNZJCONLXJNQVJA-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.63
Rot. Bonds9

About 4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide

4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide (PubChem CID 80542973) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide
PubChem CID80542973
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide
SMILESCCC(CC)N(CCOC)C(=O)C(C)CCN
InChIInChI=1S/C13H28N2O2/c1-5-12(6-2)15(9-10-17-4)13(16)11(3)7-8-14/h11-12H,5-10,14H2,1-4H3
InChIKeyNZJCONLXJNQVJA-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride
CID 119729632
3-amino-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylpropanamide
CID 106112070
2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
CID 62855963
2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
CID 79474034
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
CID 104907756
4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid
CID 64694411
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
CID 61163372
2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
CID 55000825
2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
CID 81088100
4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid
CID 64693788
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)butanamide
CID 78854118

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide?
The IUPAC name of 4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide (CID 80542973) is 4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide.
What is the SMILES notation for 4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide?
The canonical SMILES for 4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide is CCC(CC)N(CCOC)C(=O)C(C)CCN.
What is the InChIKey of 4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide?
The InChIKey is NZJCONLXJNQVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-12(6-2)15(9-10-17-4)13(16)11(3)7-8-14/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide?
4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide is sourced from PubChem (CID 80542973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).