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

C16H27ClN2O4 — CID 120983522

IUPAC2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCCOc1ccc(CCNC(=O)C(N)COC)cc1OCC.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-4-21-14-7-6-12(10-15(14)22-5-2)8-9-18-16(19)13(17)11-20-3;/h6-7,10,13H,4-5,8-9,11,17H2,1-3H3,(H,18,19);1H
InChIKeyQVZDCQCGAPFVIQ-UHFFFAOYSA-N
MW346.86 g/mol
LogP1.54
Rot. Bonds10

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

2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120983522) has the molecular formula C16H27ClN2O4 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
PubChem CID120983522
Molecular FormulaC16H27ClN2O4
Molecular Weight346.86 g/mol
Exact Mass346.17
IUPAC Name2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCCOc1ccc(CCNC(=O)C(N)COC)cc1OCC.Cl
InChIInChI=1S/C16H26N2O4.ClH/c1-4-21-14-7-6-12(10-15(14)22-5-2)8-9-18-16(19)13(17)11-20-3;/h6-7,10,13H,4-5,8-9,11,17H2,1-3H3,(H,18,19);1H
InChIKeyQVZDCQCGAPFVIQ-UHFFFAOYSA-N
XLogP1.54
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948782
2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 78778592
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
CID 78778646
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
CID 120989107
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride (CID 120983522) is 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride is CCOc1ccc(CCNC(=O)C(N)COC)cc1OCC.Cl.
What is the InChIKey of 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is QVZDCQCGAPFVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4.ClH/c1-4-21-14-7-6-12(10-15(14)22-5-2)8-9-18-16(19)13(17)11-20-3;/h6-7,10,13H,4-5,8-9,11,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120983522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).