N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide

C12H26N2O2 — CID 79203472

IUPACN-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(CCN(C)C)C(=O)CCCO
InChIInChI=1S/C12H26N2O2/c1-11(2)10-14(8-7-13(3)4)12(16)6-5-9-15/h11,15H,5-10H2,1-4H3
InChIKeyCOPAKRAQJPGJOY-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.81
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide

N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide (PubChem CID 79203472) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide
PubChem CID79203472
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(CCN(C)C)C(=O)CCCO
InChIInChI=1S/C12H26N2O2/c1-11(2)10-14(8-7-13(3)4)12(16)6-5-9-15/h11,15H,5-10H2,1-4H3
InChIKeyCOPAKRAQJPGJOY-UHFFFAOYSA-N
XLogP0.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
CID 79203299
N-[2-(dimethylamino)ethyl]-5-hydroxy-N-propylpentanamide
CID 79209171
N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide
CID 139337163
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide
CID 55009764
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide
CID 54871197
N-[3-(dimethylamino)propyl]-4-hydroxy-N-methylbutanamide
CID 79191572
N,N-bis(2-hydroxyethyl)-7-methyloctanamide
CID 54230939
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
CID 79287495
3-[butanoyl-[2-(dimethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82323472

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide (CID 79203472) is N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide is CC(C)CN(CCN(C)C)C(=O)CCCO.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide?
The InChIKey is COPAKRAQJPGJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2)10-14(8-7-13(3)4)12(16)6-5-9-15/h11,15H,5-10H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide?
N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide has a molecular weight of 230.35 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 79203472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).