N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride

C18H23ClN2O2 — CID 119758153

IUPACN-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride
SMILESCNCCCC(=O)N(C)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-19-14-6-9-18(21)20(2)15-10-12-17(13-11-15)22-16-7-4-3-5-8-16;/h3-5,7-8,10-13,19H,6,9,14H2,1-2H3;1H
InChIKeyCTJACAUASIDPMO-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.86
Rot. Bonds7

About N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride

N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride (PubChem CID 119758153) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride
PubChem CID119758153
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride
SMILESCNCCCC(=O)N(C)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-19-14-6-9-18(21)20(2)15-10-12-17(13-11-15)22-16-7-4-3-5-8-16;/h3-5,7-8,10-13,19H,6,9,14H2,1-2H3;1H
InChIKeyCTJACAUASIDPMO-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
phenyl 4-(methylamino)butanoate
CID 54754121
N-methyl-3-(4-methylpyrazol-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 86869517
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide
CID 119881664
2,2-dimethyl-N-[4-(N-methylanilino)-4-oxobutyl]propanamide
CID 10967781
N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide
CID 70145141
N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide
CID 62982673
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
4-hydroxy-N-(4-methoxyphenyl)-N-methylbutanamide
CID 79191908
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 119758161
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride?
The IUPAC name of N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride (CID 119758153) is N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride is CNCCCC(=O)N(C)c1ccc(Oc2ccccc2)cc1.Cl.
What is the InChIKey of N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride?
The InChIKey is CTJACAUASIDPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-19-14-6-9-18(21)20(2)15-10-12-17(13-11-15)22-16-7-4-3-5-8-16;/h3-5,7-8,10-13,19H,6,9,14H2,1-2H3;1H.
What are the key properties of N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride?
N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(4-phenoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119758153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).