N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide

C14H18N2O3 — CID 115267482

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESNCC1(CNC(=O)c2ccc3c(c2)OCO3)CCC1
InChIInChI=1S/C14H18N2O3/c15-7-14(4-1-5-14)8-16-13(17)10-2-3-11-12(6-10)19-9-18-11/h2-3,6H,1,4-5,7-9,15H2,(H,16,17)
InChIKeyFKGJBBSIPLQPJB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.27
Rot. Bonds4

About N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 115267482) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID115267482
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESNCC1(CNC(=O)c2ccc3c(c2)OCO3)CCC1
InChIInChI=1S/C14H18N2O3/c15-7-14(4-1-5-14)8-16-13(17)10-2-3-11-12(6-10)19-9-18-11/h2-3,6H,1,4-5,7-9,15H2,(H,16,17)
InChIKeyFKGJBBSIPLQPJB-UHFFFAOYSA-N
XLogP1.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide 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-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 115363867
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 91957211
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide
CID 115271331
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
N-[[4-(aminomethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 60918410
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate;hydrochloride
CID 139769422
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide
CID 115456719
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
CID 103970179
N-[(4-hydroxyoxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 79037313

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide (CID 115267482) is N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide is NCC1(CNC(=O)c2ccc3c(c2)OCO3)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is FKGJBBSIPLQPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-7-14(4-1-5-14)8-16-13(17)10-2-3-11-12(6-10)19-9-18-11/h2-3,6H,1,4-5,7-9,15H2,(H,16,17).
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 115267482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).