N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride

C14H23ClN2O2 — CID 119714458

IUPACN-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)CCCNC)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-3-18-13-7-4-6-12(10-13)11-16-14(17)8-5-9-15-2;/h4,6-7,10,15H,3,5,8-9,11H2,1-2H3,(H,16,17);1H
InChIKeyBRSDXEDUVZOKRX-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.12
Rot. Bonds8

About N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride

N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119714458) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119714458
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)CCCNC)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-3-18-13-7-4-6-12(10-13)11-16-14(17)8-5-9-15-2;/h4,6-7,10,15H,3,5,8-9,11H2,1-2H3,(H,16,17);1H
InChIKeyBRSDXEDUVZOKRX-UHFFFAOYSA-N
XLogP2.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
CID 79191557
5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872587
6-[(3-ethoxyphenyl)methylamino]-6-oxohexanoic acid
CID 60872975
3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 60872199
6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide
CID 65290667
N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide
CID 119719954
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
N-[(3-cyanophenyl)methyl]-4-(methylamino)butanamide
CID 54936460
N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 119745540
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride (CID 119714458) is N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride is CCOc1cccc(CNC(=O)CCCNC)c1.Cl.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is BRSDXEDUVZOKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-3-18-13-7-4-6-12(10-13)11-16-14(17)8-5-9-15-2;/h4,6-7,10,15H,3,5,8-9,11H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride?
N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119714458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).