N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide

C16H26N2O3 — CID 103282970

IUPACN-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide
SMILESCCCC(C)COC(C)C(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C16H26N2O3/c1-5-6-11(2)10-21-12(3)16(19)18-14-8-7-13(17)9-15(14)20-4/h7-9,11-12H,5-6,10,17H2,1-4H3,(H,18,19)
InChIKeyQNBRHYALCIZYFZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.06
Rot. Bonds8

About N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide

N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide (PubChem CID 103282970) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide
PubChem CID103282970
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide
SMILESCCCC(C)COC(C)C(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C16H26N2O3/c1-5-6-11(2)10-21-12(3)16(19)18-14-8-7-13(17)9-15(14)20-4/h7-9,11-12H,5-6,10,17H2,1-4H3,(H,18,19)
InChIKeyQNBRHYALCIZYFZ-UHFFFAOYSA-N
XLogP3.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.06
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-(cyclopentylmethoxy)propanamide
CID 66323873
N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide
CID 16783991
N-(4-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 54852607
N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide
CID 102980701
N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66275206
N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 54852451
N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66104221
N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 54852668
N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79177188
N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 43271750
N-(2-carbamothioylphenyl)-2-(2-methylpentoxy)propanamide
CID 103283846
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide
CID 60919078

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide (CID 103282970) is N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide is CCCC(C)COC(C)C(=O)Nc1ccc(N)cc1OC.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide?
The InChIKey is QNBRHYALCIZYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-6-11(2)10-21-12(3)16(19)18-14-8-7-13(17)9-15(14)20-4/h7-9,11-12H,5-6,10,17H2,1-4H3,(H,18,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide?
N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide has a molecular weight of 294.40 g/mol, XLogP of 3.06, 8 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-(2-methylpentoxy)propanamide is sourced from PubChem (CID 103282970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).