N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C16H22N2O2 — CID 63754394

IUPACN-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNCC1(NC(=O)C2Cc3ccccc3O2)CCCCC1
InChIInChI=1S/C16H22N2O2/c17-11-16(8-4-1-5-9-16)18-15(19)14-10-12-6-2-3-7-13(12)20-14/h2-3,6-7,14H,1,4-5,8-11,17H2,(H,18,19)
InChIKeyLEFRQHNLKZLHIG-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.77
Rot. Bonds3

About N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 63754394) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID63754394
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNCC1(NC(=O)C2Cc3ccccc3O2)CCCCC1
InChIInChI=1S/C16H22N2O2/c17-11-16(8-4-1-5-9-16)18-15(19)14-10-12-6-2-3-7-13(12)20-14/h2-3,6-7,14H,1,4-5,8-11,17H2,(H,18,19)
InChIKeyLEFRQHNLKZLHIG-UHFFFAOYSA-N
XLogP1.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114303404
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63767439
N-[4-(chloromethyl)oxan-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106300784
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
N-[1-(aminomethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63753600
N-[(1-phenylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42938379
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 91762618
(2S)-N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124617051
2-[1-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]cyclobutyl]acetic acid
CID 120522109
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 63754394) is N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide is NCC1(NC(=O)C2Cc3ccccc3O2)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is LEFRQHNLKZLHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-11-16(8-4-1-5-9-16)18-15(19)14-10-12-6-2-3-7-13(12)20-14/h2-3,6-7,14H,1,4-5,8-11,17H2,(H,18,19).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 63754394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).