N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride

C13H21ClN2O2 — CID 119670696

IUPACN-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)CCCNC)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-3-17-12-8-6-11(7-9-12)15-13(16)5-4-10-14-2;/h6-9,14H,3-5,10H2,1-2H3,(H,15,16);1H
InChIKeyDKFICRBCXQFBTO-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.45
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride

N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119670696) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119670696
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)CCCNC)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-3-17-12-8-6-11(7-9-12)15-13(16)5-4-10-14-2;/h6-9,14H,3-5,10H2,1-2H3,(H,15,16);1H
InChIKeyDKFICRBCXQFBTO-UHFFFAOYSA-N
XLogP2.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.45
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,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide
CID 54928721
2-[4-[4-(methylamino)butanoylamino]phenoxy]acetic acid
CID 63745885
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119717651
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride (CID 119670696) is N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride is CCOc1ccc(NC(=O)CCCNC)cc1.Cl.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is DKFICRBCXQFBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-3-17-12-8-6-11(7-9-12)15-13(16)5-4-10-14-2;/h6-9,14H,3-5,10H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride?
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119670696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).