2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride

C16H27ClN2O4 — CID 120983475

IUPAC2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCCOc1ccc(C(C)NC(=O)C(N)COC)cc1OCC.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-5-21-14-8-7-12(9-15(14)22-6-2)11(3)18-16(19)13(17)10-20-4;/h7-9,11,13H,5-6,10,17H2,1-4H3,(H,18,19);1H
InChIKeyLOANHWBBXMOYHT-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.06
Rot. Bonds9

About 2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120983475) has the molecular formula C16H27ClN2O4 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
PubChem CID120983475
Molecular FormulaC16H27ClN2O4
Molecular Weight346.86 g/mol
Exact Mass346.17
IUPAC Name2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCCOc1ccc(C(C)NC(=O)C(N)COC)cc1OCC.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-5-21-14-8-7-12(9-15(14)22-6-2)11(3)18-16(19)13(17)10-20-4;/h7-9,11,13H,5-6,10,17H2,1-4H3,(H,18,19);1H
InChIKeyLOANHWBBXMOYHT-UHFFFAOYSA-N
XLogP2.06
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride
CID 120986679
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide
CID 81083669
(2S)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)propanamide
CID 30389970
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43885781
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 43011681
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
(2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 38016623
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119273672

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride (CID 120983475) is 2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride is CCOc1ccc(C(C)NC(=O)C(N)COC)cc1OCC.Cl.
What is the InChIKey of 2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is LOANHWBBXMOYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4.ClH/c1-5-21-14-8-7-12(9-15(14)22-6-2)11(3)18-16(19)13(17)10-20-4;/h7-9,11,13H,5-6,10,17H2,1-4H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120983475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).