N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide

C20H26N2O2 — CID 4928472

IUPACN-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-5-22(6-2)18-11-9-17(10-12-18)21-20(23)16(4)24-19-13-7-15(3)8-14-19/h7-14,16H,5-6H2,1-4H3,(H,21,23)
InChIKeyASFWOJXIGBVXJM-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.25
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide

N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide (PubChem CID 4928472) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
PubChem CID4928472
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-5-22(6-2)18-11-9-17(10-12-18)21-20(23)16(4)24-19-13-7-15(3)8-14-19/h7-14,16H,5-6H2,1-4H3,(H,21,23)
InChIKeyASFWOJXIGBVXJM-UHFFFAOYSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277
N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951209
(2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide
CID 837387
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542
(2S)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylphenoxy)propanamide
CID 5449938
(2S)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylphenoxy)propanamide
CID 39911228
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
CID 837427
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methylphenoxy)propanamide
CID 87006843
N-[4-(dimethylamino)phenyl]-2-(4-ethoxyphenoxy)propanamide
CID 53267102

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide (CID 4928472) is N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide is CCN(CC)c1ccc(NC(=O)C(C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is ASFWOJXIGBVXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-22(6-2)18-11-9-17(10-12-18)21-20(23)16(4)24-19-13-7-15(3)8-14-19/h7-14,16H,5-6H2,1-4H3,(H,21,23).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide?
N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 326.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 4928472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).