N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

C19H31ClN2O4 — CID 119682971

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCCOc1ccc(C(C)NC(=O)CNCC2CCCO2)cc1OCC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-4-23-17-9-8-15(11-18(17)24-5-2)14(3)21-19(22)13-20-12-16-7-6-10-25-16;/h8-9,11,14,16,20H,4-7,10,12-13H2,1-3H3,(H,21,22);1H
InChIKeyHVTJQPPEBGWVTC-UHFFFAOYSA-N
MW386.92 g/mol
LogP2.85
Rot. Bonds10

About N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 119682971) has the molecular formula C19H31ClN2O4 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
PubChem CID119682971
Molecular FormulaC19H31ClN2O4
Molecular Weight386.92 g/mol
Exact Mass386.20
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCCOc1ccc(C(C)NC(=O)CNCC2CCCO2)cc1OCC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-4-23-17-9-8-15(11-18(17)24-5-2)14(3)21-19(22)13-20-12-16-7-6-10-25-16;/h8-9,11,14,16,20H,4-7,10,12-13H2,1-3H3,(H,21,22);1H
InChIKeyHVTJQPPEBGWVTC-UHFFFAOYSA-N
XLogP2.85
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 99715210
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119699856
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119683065
2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119686315
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
N-tert-butyl-2-[2-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17290299
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 11928712
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9419010
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (CID 119682971) is N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is CCOc1ccc(C(C)NC(=O)CNCC2CCCO2)cc1OCC.Cl.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is HVTJQPPEBGWVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4.ClH/c1-4-23-17-9-8-15(11-18(17)24-5-2)14(3)21-19(22)13-20-12-16-7-6-10-25-16;/h8-9,11,14,16,20H,4-7,10,12-13H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119682971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).