4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride

C12H27ClN2O2 — CID 119741270

IUPAC4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCOCCC(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-11(2)6-9-16-10-8-14-12(15)5-4-7-13-3;/h11,13H,4-10H2,1-3H3,(H,14,15);1H
InChIKeyXWRFHBOSZPYAGK-UHFFFAOYSA-N
MW266.81 g/mol
LogP1.59
Rot. Bonds10

About 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride

4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride (PubChem CID 119741270) has the molecular formula C12H27ClN2O2 and a molecular weight of 266.81 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
PubChem CID119741270
Molecular FormulaC12H27ClN2O2
Molecular Weight266.81 g/mol
Exact Mass266.18
IUPAC Name4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCOCCC(C)C.Cl
InChIInChI=1S/C12H26N2O2.ClH/c1-11(2)6-9-16-10-8-14-12(15)5-4-7-13-3;/h11,13H,4-10H2,1-3H3,(H,14,15);1H
InChIKeyXWRFHBOSZPYAGK-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
4-(3-methylbutoxy)-N-(2-methylsulfanyloxyethyl)butanamide
CID 156820137
5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
CID 177338046
4-(methylamino)-N-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 137432077
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
CID 170583801
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride (CID 119741270) is 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride is CNCCCC(=O)NCCOCCC(C)C.Cl.
What is the InChIKey of 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride?
The InChIKey is XWRFHBOSZPYAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2.ClH/c1-11(2)6-9-16-10-8-14-12(15)5-4-7-13-3;/h11,13H,4-10H2,1-3H3,(H,14,15);1H.
What are the key properties of 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride?
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride has a molecular weight of 266.81 g/mol, XLogP of 1.59, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119741270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).