N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride

C14H23ClN2O3 — CID 119717651

IUPACN-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
SMILESCCOc1cc(NC(=O)CCCNC)ccc1OC.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-4-19-13-10-11(7-8-12(13)18-3)16-14(17)6-5-9-15-2;/h7-8,10,15H,4-6,9H2,1-3H3,(H,16,17);1H
InChIKeyZJBPJXQRGLHZHS-UHFFFAOYSA-N
MW302.80 g/mol
LogP2.45
Rot. Bonds8

About N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride

N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119717651) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119717651
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC NameN-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
SMILESCCOc1cc(NC(=O)CCCNC)ccc1OC.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-4-19-13-10-11(7-8-12(13)18-3)16-14(17)6-5-9-15-2;/h7-8,10,15H,4-6,9H2,1-3H3,(H,16,17);1H
InChIKeyZJBPJXQRGLHZHS-UHFFFAOYSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide
CID 119848510
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide
CID 119717551
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454
N-(4-ethoxy-3-methoxyphenyl)-4-(4-methylphenoxy)butanamide
CID 9103080
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-(3-amino-4-methoxyphenyl)-4-(4-ethoxyphenoxy)butanamide;hydrochloride
CID 119419096
4-(3,4-diethoxyanilino)-N-methylbutanamide
CID 63890112

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride (CID 119717651) is N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride is CCOc1cc(NC(=O)CCCNC)ccc1OC.Cl.
What is the InChIKey of N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is ZJBPJXQRGLHZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-4-19-13-10-11(7-8-12(13)18-3)16-14(17)6-5-9-15-2;/h7-8,10,15H,4-6,9H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride?
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119717651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).