N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide

C20H25ClN2O2 — CID 119797021

IUPACN-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(c1ccc(OC)cc1C)c1ccccc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-14-13-15(25-3)10-11-16(14)20(17-7-4-5-8-18(17)21)23-19(24)9-6-12-22-2/h4-5,7-8,10-11,13,20,22H,6,9,12H2,1-3H3,(H,23,24)
InChIKeyHAKQVOSXRWSJBQ-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.86
Rot. Bonds8

About N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide

N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide (PubChem CID 119797021) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide
PubChem CID119797021
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(c1ccc(OC)cc1C)c1ccccc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-14-13-15(25-3)10-11-16(14)20(17-7-4-5-8-18(17)21)23-19(24)9-6-12-22-2/h4-5,7-8,10-11,13,20,22H,6,9,12H2,1-3H3,(H,23,24)
InChIKeyHAKQVOSXRWSJBQ-UHFFFAOYSA-N
XLogP3.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.86
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide (CID 119797021) is N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide is CNCCCC(=O)NC(c1ccc(OC)cc1C)c1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide?
The InChIKey is HAKQVOSXRWSJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-14-13-15(25-3)10-11-16(14)20(17-7-4-5-8-18(17)21)23-19(24)9-6-12-22-2/h4-5,7-8,10-11,13,20,22H,6,9,12H2,1-3H3,(H,23,24).
What are the key properties of N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide?
N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide has a molecular weight of 360.89 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119797021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).