2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride

C13H21ClN2O4 — CID 119344811

IUPAC2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride
SMILESCOc1cc(OC)cc(OCCCNC(=O)CN)c1.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-17-10-6-11(18-2)8-12(7-10)19-5-3-4-15-13(16)9-14;/h6-8H,3-5,9,14H2,1-2H3,(H,15,16);1H
InChIKeyRFUFBNWTFCHNMP-UHFFFAOYSA-N
MW304.77 g/mol
LogP0.97
Rot. Bonds8

About 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride

2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride (PubChem CID 119344811) has the molecular formula C13H21ClN2O4 and a molecular weight of 304.77 g/mol. Its IUPAC name is 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride
PubChem CID119344811
Molecular FormulaC13H21ClN2O4
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC Name2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride
SMILESCOc1cc(OC)cc(OCCCNC(=O)CN)c1.Cl
InChIInChI=1S/C13H20N2O4.ClH/c1-17-10-6-11(18-2)8-12(7-10)19-5-3-4-15-13(16)9-14;/h6-8H,3-5,9,14H2,1-2H3,(H,15,16);1H
InChIKeyRFUFBNWTFCHNMP-UHFFFAOYSA-N
XLogP0.97
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119822601
4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide
CID 120564115
2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide
CID 120992852
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119820871
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
2-(3,5-dimethoxyphenoxy)-N-pentylacetamide
CID 112978560
4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride
CID 119345843
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595
3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride
CID 120611913

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride (CID 119344811) is 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride is COc1cc(OC)cc(OCCCNC(=O)CN)c1.Cl.
What is the InChIKey of 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride?
The InChIKey is RFUFBNWTFCHNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4.ClH/c1-17-10-6-11(18-2)8-12(7-10)19-5-3-4-15-13(16)9-14;/h6-8H,3-5,9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride?
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119344811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).