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

C15H22N2O3 — CID 63557818

IUPACN-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
SMILESNCc1cccc(NC(=O)CCCOC2CCOC2)c1
InChIInChI=1S/C15H22N2O3/c16-10-12-3-1-4-13(9-12)17-15(18)5-2-7-20-14-6-8-19-11-14/h1,3-4,9,14H,2,5-8,10-11,16H2,(H,17,18)
InChIKeyUIYJINVXFZZGEZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.67
Rot. Bonds7

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

N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide (PubChem CID 63557818) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
PubChem CID63557818
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
SMILESNCc1cccc(NC(=O)CCCOC2CCOC2)c1
InChIInChI=1S/C15H22N2O3/c16-10-12-3-1-4-13(9-12)17-15(18)5-2-7-20-14-6-8-19-11-14/h1,3-4,9,14H,2,5-8,10-11,16H2,(H,17,18)
InChIKeyUIYJINVXFZZGEZ-UHFFFAOYSA-N
XLogP1.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-(oxolan-3-yloxy)propanamide
CID 55218945
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732203
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide
CID 63557224
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342
N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557411
N-(3-aminophenyl)-4-cyclobutyloxybutanamide
CID 62116624
N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
CID 61289162
N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide
CID 81333991
N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557212
N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide
CID 114240858
N-(4-carbamothioylphenyl)-3-(oxolan-3-yloxy)propanamide
CID 63556653

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide (CID 63557818) is N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide is NCc1cccc(NC(=O)CCCOC2CCOC2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide?
The InChIKey is UIYJINVXFZZGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-10-12-3-1-4-13(9-12)17-15(18)5-2-7-20-14-6-8-19-11-14/h1,3-4,9,14H,2,5-8,10-11,16H2,(H,17,18).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide?
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide has a molecular weight of 278.35 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide is sourced from PubChem (CID 63557818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).