N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride

C15H25ClN2O4 — CID 119822601

IUPACN-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCOc1cc(OC)cc(OC)c1.Cl
InChIInChI=1S/C15H24N2O4.ClH/c1-16-6-4-5-15(18)17-7-8-21-14-10-12(19-2)9-13(11-14)20-3;/h9-11,16H,4-8H2,1-3H3,(H,17,18);1H
InChIKeyBTUBAQANFSKPAX-UHFFFAOYSA-N
MW332.83 g/mol
LogP1.62
Rot. Bonds10

About N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride

N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119822601) has the molecular formula C15H25ClN2O4 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119822601
Molecular FormulaC15H25ClN2O4
Molecular Weight332.83 g/mol
Exact Mass332.15
IUPAC NameN-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCOc1cc(OC)cc(OC)c1.Cl
InChIInChI=1S/C15H24N2O4.ClH/c1-16-6-4-5-15(18)17-7-8-21-14-10-12(19-2)9-13(11-14)20-3;/h9-11,16H,4-8H2,1-3H3,(H,17,18);1H
InChIKeyBTUBAQANFSKPAX-UHFFFAOYSA-N
XLogP1.62
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 51.62
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-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119820020
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride
CID 119344811
4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide
CID 120564115
4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide
CID 119778871
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride
CID 120611913
N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119820871
4-(methylamino)-N-[4-(4-methylphenoxy)butyl]butanamide
CID 119722655
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride (CID 119822601) is N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCCOc1cc(OC)cc(OC)c1.Cl.
What is the InChIKey of N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is BTUBAQANFSKPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4.ClH/c1-16-6-4-5-15(18)17-7-8-21-14-10-12(19-2)9-13(11-14)20-3;/h9-11,16H,4-8H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride?
N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 1.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119822601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).