N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide

C18H22N2O3 — CID 110678384

IUPACN-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O3/c1-20(2)15-6-4-14(5-7-15)19-18(21)12-13-23-17-10-8-16(22-3)9-11-17/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyGLOPPZVBAQPYAG-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.17
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide

N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide (PubChem CID 110678384) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
PubChem CID110678384
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O3/c1-20(2)15-6-4-14(5-7-15)19-18(21)12-13-23-17-10-8-16(22-3)9-11-17/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyGLOPPZVBAQPYAG-UHFFFAOYSA-N
XLogP3.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850
ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate
CID 974922
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-methoxyphenyl)acetamide
CID 113176766
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033786
5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637635
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide
CID 86981512
N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110424715
N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039563

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide (CID 110678384) is N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide is COc1ccc(OCCC(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide?
The InChIKey is GLOPPZVBAQPYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20(2)15-6-4-14(5-7-15)19-18(21)12-13-23-17-10-8-16(22-3)9-11-17/h4-11H,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide?
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide has a molecular weight of 314.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 110678384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).