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

C13H18N2O3 — CID 63557224

IUPACN-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide
SMILESNCc1ccc(NC(=O)COC2CCOC2)cc1
InChIInChI=1S/C13H18N2O3/c14-7-10-1-3-11(4-2-10)15-13(16)9-18-12-5-6-17-8-12/h1-4,12H,5-9,14H2,(H,15,16)
InChIKeyVJDMLQQWIIPQCM-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.89
Rot. Bonds5

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

N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide (PubChem CID 63557224) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide
PubChem CID63557224
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide
SMILESNCc1ccc(NC(=O)COC2CCOC2)cc1
InChIInChI=1S/C13H18N2O3/c14-7-10-1-3-11(4-2-10)15-13(16)9-18-12-5-6-17-8-12/h1-4,12H,5-9,14H2,(H,15,16)
InChIKeyVJDMLQQWIIPQCM-UHFFFAOYSA-N
XLogP0.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide
CID 55218945
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide
CID 63557624
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 55218804
N-(5-amino-2-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556820
N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63557017
N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide
CID 63556653
N-[4-(aminomethyl)phenyl]-3-cyclopentyloxypropanamide
CID 16788868
N-(3-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287173
N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556430
N-(4-aminophenyl)-2-cyclopentyloxyacetamide
CID 16783535
N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide
CID 63726100

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide (CID 63557224) is N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide is NCc1ccc(NC(=O)COC2CCOC2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide?
The InChIKey is VJDMLQQWIIPQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-7-10-1-3-11(4-2-10)15-13(16)9-18-12-5-6-17-8-12/h1-4,12H,5-9,14H2,(H,15,16).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide?
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.89, 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)acetamide is sourced from PubChem (CID 63557224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).