N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide

C17H28N2O — CID 60925508

IUPACN,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1cc(C)c(C)cc1C
InChIInChI=1S/C17H28N2O/c1-6-19(7-2)17(20)8-9-18-12-16-11-14(4)13(3)10-15(16)5/h10-11,18H,6-9,12H2,1-5H3
InChIKeyLXEZYSQJPFVMQY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.96
Rot. Bonds7

About N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide

N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide (PubChem CID 60925508) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide
PubChem CID60925508
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1cc(C)c(C)cc1C
InChIInChI=1S/C17H28N2O/c1-6-19(7-2)17(20)8-9-18-12-16-11-14(4)13(3)10-15(16)5/h10-11,18H,6-9,12H2,1-5H3
InChIKeyLXEZYSQJPFVMQY-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide (CID 60925508) is N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide is CCN(CC)C(=O)CCNCc1cc(C)c(C)cc1C.
What is the InChIKey of N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide?
The InChIKey is LXEZYSQJPFVMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-19(7-2)17(20)8-9-18-12-16-11-14(4)13(3)10-15(16)5/h10-11,18H,6-9,12H2,1-5H3.
What are the key properties of N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide?
N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide has a molecular weight of 276.42 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(2,4,5-trimethylphenyl)methylamino]propanamide is sourced from PubChem (CID 60925508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).