4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide

C15H32N2O3 — CID 106247393

IUPAC4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide
SMILESCOCC(O)CCNC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C15H32N2O3/c1-15(2,3)12(7-9-16)5-6-14(19)17-10-8-13(18)11-20-4/h12-13,18H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyZNRWDRLUMUSAHT-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.29
Rot. Bonds10

About 4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide

4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide (PubChem CID 106247393) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide
PubChem CID106247393
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide
SMILESCOCC(O)CCNC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C15H32N2O3/c1-15(2,3)12(7-9-16)5-6-14(19)17-10-8-13(18)11-20-4/h12-13,18H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyZNRWDRLUMUSAHT-UHFFFAOYSA-N
XLogP1.29
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide
CID 82722451
4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide
CID 115325284
2-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]-3-methoxypropanoic acid
CID 81078363
4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide
CID 106188734
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
3-(methoxymethyl)-4,4-dimethylpentan-1-amine
CID 115012519
N-(3-hydroxy-4-methoxybutyl)octanamide
CID 103877091
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-methoxybutanamide
CID 106247351
N-(3-hydroxy-4-methoxybutyl)dodecanamide
CID 103876970
2-(aminomethyl)-N-(3-hydroxy-4-methoxybutyl)-2-methylbutanamide
CID 106247571
4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide
CID 106135446

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide (CID 106247393) is 4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide is COCC(O)CCNC(=O)CCC(CCN)C(C)(C)C.
What is the InChIKey of 4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide?
The InChIKey is ZNRWDRLUMUSAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-15(2,3)12(7-9-16)5-6-14(19)17-10-8-13(18)11-20-4/h12-13,18H,5-11,16H2,1-4H3,(H,17,19).
What are the key properties of 4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide?
4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide has a molecular weight of 288.43 g/mol, XLogP of 1.29, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide is sourced from PubChem (CID 106247393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).