N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide

C15H24N2O3 — CID 43739454

IUPACN,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCc1cccc(OC)c1O
InChIInChI=1S/C15H24N2O3/c1-5-17(6-2)15(19)11(3)16-10-12-8-7-9-13(20-4)14(12)18/h7-9,11,16,18H,5-6,10H2,1-4H3
InChIKeyTWMDIFQRCKMIGJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.75
Rot. Bonds7

About N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide

N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide (PubChem CID 43739454) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide
PubChem CID43739454
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCc1cccc(OC)c1O
InChIInChI=1S/C15H24N2O3/c1-5-17(6-2)15(19)11(3)16-10-12-8-7-9-13(20-4)14(12)18/h7-9,11,16,18H,5-6,10H2,1-4H3
InChIKeyTWMDIFQRCKMIGJ-UHFFFAOYSA-N
XLogP1.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxy-3-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931889
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 54950309
2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide
CID 103851440
2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 43789766
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479
2-[(2-ethoxy-3-methoxyphenyl)methylamino]propanoic acid
CID 66525793
2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367015
(2R)-2-[(2,3-dihydroxyphenyl)methylamino]propanoic acid
CID 94213234
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615270
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide (CID 43739454) is N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide is CCN(CC)C(=O)C(C)NCc1cccc(OC)c1O.
What is the InChIKey of N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide?
The InChIKey is TWMDIFQRCKMIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-17(6-2)15(19)11(3)16-10-12-8-7-9-13(20-4)14(12)18/h7-9,11,16,18H,5-6,10H2,1-4H3.
What are the key properties of N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide?
N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 43739454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).