4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride

C19H21ClN2O3 — CID 120925687

IUPAC4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc3c(c2)oc2ccccc23)CCOCC1
InChIInChI=1S/C19H20N2O3.ClH/c20-12-19(7-9-23-10-8-19)18(22)21-13-5-6-15-14-3-1-2-4-16(14)24-17(15)11-13;/h1-6,11H,7-10,12,20H2,(H,21,22);1H
InChIKeyDPEQSUFMYAJGKU-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.70
Rot. Bonds3

About 4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride (PubChem CID 120925687) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride
PubChem CID120925687
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc3c(c2)oc2ccccc23)CCOCC1
InChIInChI=1S/C19H20N2O3.ClH/c20-12-19(7-9-23-10-8-19)18(22)21-13-5-6-15-14-3-1-2-4-16(14)24-17(15)11-13;/h1-6,11H,7-10,12,20H2,(H,21,22);1H
InChIKeyDPEQSUFMYAJGKU-UHFFFAOYSA-N
XLogP3.70
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120922590
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
4-(aminomethyl)-N-[3-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922415
N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120921189
4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride
CID 120924638
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-chlorobenzoic acid
CID 115439486
4-(aminomethyl)-N-[3-(methoxymethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120924113
4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide
CID 120941121
4-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120917692
4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide
CID 120926896

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride (CID 120925687) is 4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)Nc2ccc3c(c2)oc2ccccc23)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride?
The InChIKey is DPEQSUFMYAJGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3.ClH/c20-12-19(7-9-23-10-8-19)18(22)21-13-5-6-15-14-3-1-2-4-16(14)24-17(15)11-13;/h1-6,11H,7-10,12,20H2,(H,21,22);1H.
What are the key properties of 4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride has a molecular weight of 360.84 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120925687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).