N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide

C14H20N2O2 — CID 55041403

IUPACN-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
SMILESNCc1cccc(NC(=O)CCOC2CCC2)c1
InChIInChI=1S/C14H20N2O2/c15-10-11-3-1-4-12(9-11)16-14(17)7-8-18-13-5-2-6-13/h1,3-4,9,13H,2,5-8,10,15H2,(H,16,17)
InChIKeyURYHDFXFZINLLI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.04
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide

N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide (PubChem CID 55041403) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
PubChem CID55041403
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
SMILESNCc1cccc(NC(=O)CCOC2CCC2)c1
InChIInChI=1S/C14H20N2O2/c15-10-11-3-1-4-12(9-11)16-14(17)7-8-18-13-5-2-6-13/h1,3-4,9,13H,2,5-8,10,15H2,(H,16,17)
InChIKeyURYHDFXFZINLLI-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-cyclopentyloxypropanamide
CID 16788868
cyclobutyl N-[3-(aminomethyl)phenyl]carbamate
CID 62139708
N-(3-aminophenyl)-4-cyclobutyloxybutanamide
CID 62116624
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956603
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
CID 115559140
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238
N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide
CID 81333278
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide (CID 55041403) is N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide is NCc1cccc(NC(=O)CCOC2CCC2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide?
The InChIKey is URYHDFXFZINLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-10-11-3-1-4-12(9-11)16-14(17)7-8-18-13-5-2-6-13/h1,3-4,9,13H,2,5-8,10,15H2,(H,16,17).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide?
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide has a molecular weight of 248.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide is sourced from PubChem (CID 55041403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).