N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide

C14H20N2O3 — CID 63557624

IUPACN-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide
SMILESCC(OC1CCOC1)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H20N2O3/c1-10(19-13-6-7-18-9-13)14(17)16-12-4-2-11(8-15)3-5-12/h2-5,10,13H,6-9,15H2,1H3,(H,16,17)
InChIKeyDEOKWLFDCBWNGZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.28
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide

N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide (PubChem CID 63557624) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide
PubChem CID63557624
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide
SMILESCC(OC1CCOC1)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H20N2O3/c1-10(19-13-6-7-18-9-13)14(17)16-12-4-2-11(8-15)3-5-12/h2-5,10,13H,6-9,15H2,1H3,(H,16,17)
InChIKeyDEOKWLFDCBWNGZ-UHFFFAOYSA-N
XLogP1.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide
CID 63557224
N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide
CID 55218945
N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide
CID 61287366
methyl (2R)-2-(oxolan-3-yloxy)propanoate
CID 103338002
2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride
CID 120990540
N-(2-aminophenyl)-2-(oxan-4-yloxy)propanamide
CID 54979655
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-(4-methoxypiperidin-1-yl)propanamide
CID 43372637
N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 16789668
N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide
CID 60725478
N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide
CID 103487081

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide (CID 63557624) is N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide is CC(OC1CCOC1)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide?
The InChIKey is DEOKWLFDCBWNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(19-13-6-7-18-9-13)14(17)16-12-4-2-11(8-15)3-5-12/h2-5,10,13H,6-9,15H2,1H3,(H,16,17).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide?
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide has a molecular weight of 264.33 g/mol, XLogP of 1.28, 5 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-(oxolan-3-yloxy)propanamide is sourced from PubChem (CID 63557624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).