4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride

C19H25ClN2O2 — CID 119777786

IUPAC4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1ccccc1Oc1ccc(C)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-15-9-11-17(12-10-15)23-18-7-4-3-6-16(18)14-21-19(22)8-5-13-20-2;/h3-4,6-7,9-12,20H,5,8,13-14H2,1-2H3,(H,21,22);1H
InChIKeyPIDYPPKHDNUINU-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.82
Rot. Bonds8

About 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride

4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119777786) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
PubChem CID119777786
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1ccccc1Oc1ccc(C)cc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-15-9-11-17(12-10-15)23-18-7-4-3-6-16(18)14-21-19(22)8-5-13-20-2;/h3-4,6-7,9-12,20H,5,8,13-14H2,1-2H3,(H,21,22);1H
InChIKeyPIDYPPKHDNUINU-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide
CID 119777787
2-methyl-3-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]propanamide
CID 119777795
4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759011
N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119679682
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 51097793
2-[2-(4-methylphenoxy)phenyl]acetyl chloride
CID 173381947
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 119320252
1,2-dimethyl-3-[[2-(4-methylphenoxy)phenyl]methyl]guanidine;hydroiodide
CID 111107616
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 146085901
2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976878

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride (CID 119777786) is 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride is CNCCCC(=O)NCc1ccccc1Oc1ccc(C)cc1.Cl.
What is the InChIKey of 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is PIDYPPKHDNUINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-15-9-11-17(12-10-15)23-18-7-4-3-6-16(18)14-21-19(22)8-5-13-20-2;/h3-4,6-7,9-12,20H,5,8,13-14H2,1-2H3,(H,21,22);1H.
What are the key properties of 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride?
4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119777786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).