N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide

C16H26N2O2 — CID 43789807

IUPACN,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc(OC)c(C)c1
InChIInChI=1S/C16H26N2O2/c1-6-18(7-2)16(19)13(4)17-11-14-8-9-15(20-5)12(3)10-14/h8-10,13,17H,6-7,11H2,1-5H3
InChIKeyVPUHLPPKYIEBIO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds7

About N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide

N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide (PubChem CID 43789807) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide
PubChem CID43789807
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc(OC)c(C)c1
InChIInChI=1S/C16H26N2O2/c1-6-18(7-2)16(19)13(4)17-11-14-8-9-15(20-5)12(3)10-14/h8-10,13,17H,6-7,11H2,1-5H3
InChIKeyVPUHLPPKYIEBIO-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(4-methoxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103107281
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 43789766
2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide
CID 66473610
N,N-diethyl-2-[(4-ethylphenyl)methylamino]propanamide
CID 43739384
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 43424955
N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide
CID 43739454
2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945293
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43573898

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide (CID 43789807) is N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide is CCN(CC)C(=O)C(C)NCc1ccc(OC)c(C)c1.
What is the InChIKey of N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide?
The InChIKey is VPUHLPPKYIEBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-18(7-2)16(19)13(4)17-11-14-8-9-15(20-5)12(3)10-14/h8-10,13,17H,6-7,11H2,1-5H3.
What are the key properties of N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide?
N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 43789807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).