N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide

C18H22N2O2 — CID 16790293

IUPACN-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)Oc1cccc(C)c1C
InChIInChI=1S/C18H22N2O2/c1-11-6-5-7-17(13(11)3)22-14(4)18(21)20-16-9-8-15(19)10-12(16)2/h5-10,14H,19H2,1-4H3,(H,20,21)
InChIKeyXFYILGGHJMNPPH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.60
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide

N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 16790293) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide
PubChem CID16790293
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)Oc1cccc(C)c1C
InChIInChI=1S/C18H22N2O2/c1-11-6-5-7-17(13(11)3)22-14(4)18(21)20-16-9-8-15(19)10-12(16)2/h5-10,14H,19H2,1-4H3,(H,20,21)
InChIKeyXFYILGGHJMNPPH-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 16786831
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
N-(4-amino-2-methylphenyl)-2-(2-butan-2-ylphenoxy)propanamide
CID 46735872
N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 16786087
(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 891226
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
ethyl 3-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-4-methylbenzoate
CID 30397857
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 38916474
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 46771651
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 38013113
(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 7668733

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide (CID 16790293) is N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide is Cc1cc(N)ccc1NC(=O)C(C)Oc1cccc(C)c1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is XFYILGGHJMNPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11-6-5-7-17(13(11)3)22-14(4)18(21)20-16-9-8-15(19)10-12(16)2/h5-10,14H,19H2,1-4H3,(H,20,21).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide?
N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 16790293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).