N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride

C14H23ClN2O3 — CID 119382877

IUPACN-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
SMILESCOc1ccc(C(C)(C)C(=O)NCCN)cc1OC.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-14(2,13(17)16-8-7-15)10-5-6-11(18-3)12(9-10)19-4;/h5-6,9H,7-8,15H2,1-4H3,(H,16,17);1H
InChIKeyUCFMKEKYDBUOCN-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.48
Rot. Bonds6

About N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride

N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride (PubChem CID 119382877) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
PubChem CID119382877
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC NameN-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
SMILESCOc1ccc(C(C)(C)C(=O)NCCN)cc1OC.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-14(2,13(17)16-8-7-15)10-5-6-11(18-3)12(9-10)19-4;/h5-6,9H,7-8,15H2,1-4H3,(H,16,17);1H
InChIKeyUCFMKEKYDBUOCN-UHFFFAOYSA-N
XLogP1.48
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110437749
2-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(methylamino)propyl]propanamide
CID 120832492
3-[[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701535
2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391625
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119419316
N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110438694
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110437705
N-(2-aminoethyl)-1-[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 119480066
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 120943522
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119589762
2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110437761

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride (CID 119382877) is N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride is COc1ccc(C(C)(C)C(=O)NCCN)cc1OC.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride?
The InChIKey is UCFMKEKYDBUOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-14(2,13(17)16-8-7-15)10-5-6-11(18-3)12(9-10)19-4;/h5-6,9H,7-8,15H2,1-4H3,(H,16,17);1H.
What are the key properties of N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride?
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119382877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).