N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide

C12H18N2O3 — CID 16783991

IUPACN-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide
SMILESCCOC(C)C(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C12H18N2O3/c1-4-17-8(2)12(15)14-10-7-9(13)5-6-11(10)16-3/h5-8H,4,13H2,1-3H3,(H,14,15)
InChIKeyQRTLVXQNUNRFAX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.64
Rot. Bonds5

About N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide

N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide (PubChem CID 16783991) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide
PubChem CID16783991
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide
SMILESCCOC(C)C(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C12H18N2O3/c1-4-17-8(2)12(15)14-10-7-9(13)5-6-11(10)16-3/h5-8H,4,13H2,1-3H3,(H,14,15)
InChIKeyQRTLVXQNUNRFAX-UHFFFAOYSA-N
XLogP1.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.64
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-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide
CID 60919078
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CID 102980701
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
N-(5-amino-2-methoxyphenyl)-2-[ethyl(propyl)amino]propanamide
CID 43268403
N-(5-amino-2-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61449940
N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide
CID 103282970
N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107753666
N-(5-amino-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]acetamide
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N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
N-(4-amino-2-methoxyphenyl)-2-(cyclopentylmethoxy)propanamide
CID 66323873
N-(5-amino-2-methoxyphenyl)-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984612
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide (CID 16783991) is N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide is CCOC(C)C(=O)Nc1cc(N)ccc1OC.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide?
The InChIKey is QRTLVXQNUNRFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-17-8(2)12(15)14-10-7-9(13)5-6-11(10)16-3/h5-8H,4,13H2,1-3H3,(H,14,15).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide?
N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide has a molecular weight of 238.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide is sourced from PubChem (CID 16783991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).