N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide

C15H24N2O3 — CID 103487081

IUPACN-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide
SMILESCCOCC(C)OC(C)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H24N2O3/c1-4-19-10-11(2)20-12(3)15(18)17-14-7-5-13(9-16)6-8-14/h5-8,11-12H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyXTKUWFCCWHJVJG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.91
Rot. Bonds8

About N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide

N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide (PubChem CID 103487081) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide
PubChem CID103487081
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide
SMILESCCOCC(C)OC(C)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H24N2O3/c1-4-19-10-11(2)20-12(3)15(18)17-14-7-5-13(9-16)6-8-14/h5-8,11-12H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyXTKUWFCCWHJVJG-UHFFFAOYSA-N
XLogP1.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide
CID 60725469
N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82003922
N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 16789668
ethyl 2-[[4-(aminomethyl)phenyl]carbamoyl]-4-methylpentanoate;hydrochloride
CID 174057394
N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide
CID 103486661
N-[4-(aminomethyl)phenyl]-2-cyanopropanamide
CID 82506537
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide
CID 63557624
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
CID 119298184
N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide
CID 103486889
N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide
CID 107767176
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide (CID 103487081) is N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide is CCOCC(C)OC(C)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide?
The InChIKey is XTKUWFCCWHJVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-19-10-11(2)20-12(3)15(18)17-14-7-5-13(9-16)6-8-14/h5-8,11-12H,4,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide?
N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide is sourced from PubChem (CID 103487081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).