2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride

C16H27ClN2O3 — CID 119268681

IUPAC2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
SMILESCCCOc1ccc(CN(CCC)C(=O)CN)cc1OC.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-4-8-18(16(19)11-17)12-13-6-7-14(21-9-5-2)15(10-13)20-3;/h6-7,10H,4-5,8-9,11-12,17H2,1-3H3;1H
InChIKeyZXFYFHOCPZAQTL-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.60
Rot. Bonds9

About 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride

2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride (PubChem CID 119268681) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
PubChem CID119268681
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
SMILESCCCOc1ccc(CN(CCC)C(=O)CN)cc1OC.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-4-8-18(16(19)11-17)12-13-6-7-14(21-9-5-2)15(10-13)20-3;/h6-7,10H,4-5,8-9,11-12,17H2,1-3H3;1H
InChIKeyZXFYFHOCPZAQTL-UHFFFAOYSA-N
XLogP2.60
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119684727
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propyl-2-(trifluoromethylsulfanyl)acetamide
CID 55666830
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
CID 119268690
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
CID 55875216
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropanamide
CID 55413074
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide
CID 55332708
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide
CID 55874316

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride (CID 119268681) is 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride is CCCOc1ccc(CN(CCC)C(=O)CN)cc1OC.Cl.
What is the InChIKey of 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride?
The InChIKey is ZXFYFHOCPZAQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-4-8-18(16(19)11-17)12-13-6-7-14(21-9-5-2)15(10-13)20-3;/h6-7,10H,4-5,8-9,11-12,17H2,1-3H3;1H.
What are the key properties of 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride?
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119268681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).