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

C15H22N2O3 — CID 61287366

IUPACN-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide
SMILESCC(OC1CCOCC1)C(=O)Nc1ccccc1CN
InChIInChI=1S/C15H22N2O3/c1-11(20-13-6-8-19-9-7-13)15(18)17-14-5-3-2-4-12(14)10-16/h2-5,11,13H,6-10,16H2,1H3,(H,17,18)
InChIKeyKCUYCWYANLVYAY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.67
Rot. Bonds5

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

N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide (PubChem CID 61287366) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide
PubChem CID61287366
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide
SMILESCC(OC1CCOCC1)C(=O)Nc1ccccc1CN
InChIInChI=1S/C15H22N2O3/c1-11(20-13-6-8-19-9-7-13)15(18)17-14-5-3-2-4-12(14)10-16/h2-5,11,13H,6-10,16H2,1H3,(H,17,18)
InChIKeyKCUYCWYANLVYAY-UHFFFAOYSA-N
XLogP1.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide
CID 54979655
N-[2-(aminomethyl)phenyl]oxane-4-carboxamide
CID 63754854
N-(2-aminophenyl)-2-cyclobutyloxypropanamide
CID 62116312
N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
CID 43127345
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide
CID 63557624
N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide
CID 43127359
N-(2-cyanophenyl)-2-cyclobutyloxypropanamide
CID 55041309
N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884442
N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 64697646
3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride
CID 120501820
N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 16793258
N-[2-(aminomethyl)phenyl]-2-cyclopentyloxyacetamide
CID 16795947

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide (CID 61287366) is N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide is CC(OC1CCOCC1)C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide?
The InChIKey is KCUYCWYANLVYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(20-13-6-8-19-9-7-13)15(18)17-14-5-3-2-4-12(14)10-16/h2-5,11,13H,6-10,16H2,1H3,(H,17,18).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide?
N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide is sourced from PubChem (CID 61287366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).