1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide

C14H18N2O3 — CID 80588839

IUPAC1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc3c(c2)OCCO3)CCC1
InChIInChI=1S/C14H18N2O3/c15-9-14(4-1-5-14)13(17)16-10-2-3-11-12(8-10)19-7-6-18-11/h2-3,8H,1,4-7,9,15H2,(H,16,17)
InChIKeyWHDKNASVHWIANY-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.53
Rot. Bonds3

About 1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide (PubChem CID 80588839) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide
PubChem CID80588839
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc3c(c2)OCCO3)CCC1
InChIInChI=1S/C14H18N2O3/c15-9-14(4-1-5-14)13(17)16-10-2-3-11-12(8-10)19-7-6-18-11/h2-3,8H,1,4-7,9,15H2,(H,16,17)
InChIKeyWHDKNASVHWIANY-UHFFFAOYSA-N
XLogP1.53
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxamide
CID 113311600
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115183467
1-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 51224356
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid
CID 115448230
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972102
N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide
CID 2862065
1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 115437474
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115447532
1-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclopentane-1-carboxamide
CID 81489454
1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80587920
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide (CID 80588839) is 1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide is NCC1(C(=O)Nc2ccc3c(c2)OCCO3)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide?
The InChIKey is WHDKNASVHWIANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-9-14(4-1-5-14)13(17)16-10-2-3-11-12(8-10)19-7-6-18-11/h2-3,8H,1,4-7,9,15H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80588839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).