N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

C12H27ClN2O3 — CID 119803026

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCC(C)(C)CC(C)O.Cl
InChIInChI=1S/C12H26N2O3.ClH/c1-10(15)7-12(2,3)9-14-11(16)8-13-5-6-17-4;/h10,13,15H,5-9H2,1-4H3,(H,14,16);1H
InChIKeySDZGPNNWWKPSDR-UHFFFAOYSA-N
MW282.81 g/mol
LogP0.56
Rot. Bonds9

About N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride

N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119803026) has the molecular formula C12H27ClN2O3 and a molecular weight of 282.81 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119803026
Molecular FormulaC12H27ClN2O3
Molecular Weight282.81 g/mol
Exact Mass282.17
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NCC(C)(C)CC(C)O.Cl
InChIInChI=1S/C12H26N2O3.ClH/c1-10(15)7-12(2,3)9-14-11(16)8-13-5-6-17-4;/h10,13,15H,5-9H2,1-4H3,(H,14,16);1H
InChIKeySDZGPNNWWKPSDR-UHFFFAOYSA-N
XLogP0.56
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[2-(2-methoxyethylamino)acetyl]amino]-2,2-dimethylpropanoate
CID 119789402
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
2-(2-methoxyethylamino)-N-(4-methylpentyl)acetamide;hydrochloride
CID 119718684
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]acetate
CID 79282629
N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119796579
N-[2-(2-chlorophenyl)-2-methylpropyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119773052
N-(2,3-dihydroxypropyl)-2-(2-methoxyethylamino)acetamide
CID 79291770
2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 114125368
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide
CID 79282466
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(2-methoxyethylamino)acetamide
CID 119863471

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119803026) is N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NCC(C)(C)CC(C)O.Cl.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is SDZGPNNWWKPSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3.ClH/c1-10(15)7-12(2,3)9-14-11(16)8-13-5-6-17-4;/h10,13,15H,5-9H2,1-4H3,(H,14,16);1H.
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 0.56, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119803026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).