N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide

C19H24N2O3 — CID 54852451

IUPACN-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C19H24N2O3/c1-12(2)14-5-8-16(9-6-14)24-13(3)19(22)21-17-10-7-15(20)11-18(17)23-4/h5-13H,20H2,1-4H3,(H,21,22)
InChIKeyORXHYFQIYOESBI-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.81
Rot. Bonds6

About N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide

N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 54852451) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID54852451
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C19H24N2O3/c1-12(2)14-5-8-16(9-6-14)24-13(3)19(22)21-17-10-7-15(20)11-18(17)23-4/h5-13H,20H2,1-4H3,(H,21,22)
InChIKeyORXHYFQIYOESBI-UHFFFAOYSA-N
XLogP3.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 54852607
N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 54852668
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238690
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66275206
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
CID 5105223
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 16786087
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide (CID 54852451) is N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide is COc1cc(N)ccc1NC(=O)C(C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is ORXHYFQIYOESBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(2)14-5-8-16(9-6-14)24-13(3)19(22)21-17-10-7-15(20)11-18(17)23-4/h5-13H,20H2,1-4H3,(H,21,22).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 328.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 54852451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).