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

C19H24N2O2 — CID 119777787

IUPAC4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide
SMILESCNCCCC(=O)NCc1ccccc1Oc1ccc(C)cc1
InChIInChI=1S/C19H24N2O2/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)
InChIKeyHLSBHXUHBTVKKH-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.40
Rot. Bonds8

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

4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide (PubChem CID 119777787) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide
PubChem CID119777787
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide
SMILESCNCCCC(=O)NCc1ccccc1Oc1ccc(C)cc1
InChIInChI=1S/C19H24N2O2/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)
InChIKeyHLSBHXUHBTVKKH-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.40
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

4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777786
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
3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 51097793
2-[2-(4-methylphenoxy)phenyl]acetyl chloride
CID 173381947
1,2-dimethyl-3-[[2-(4-methylphenoxy)phenyl]methyl]guanidine;hydroiodide
CID 111107616
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 119320252
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
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide (CID 119777787) is 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide is CNCCCC(=O)NCc1ccccc1Oc1ccc(C)cc1.
What is the InChIKey of 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide?
The InChIKey is HLSBHXUHBTVKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/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).
What are the key properties of 4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide?
4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide has a molecular weight of 312.41 g/mol, XLogP of 3.40, 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 is sourced from PubChem (CID 119777787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).