N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C44H50N4O4 — CID 159537450

IUPACN-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESNC1CCC(CNC(=O)c2cccc3c2OCC3)(c2ccccc2)CC1.NC1CCC(CNC(=O)c2cccc3ccoc23)(c2ccccc2)CC1
InChIInChI=1S/C22H26N2O2.C22H24N2O2/c2*23-18-9-12-22(13-10-18,17-6-2-1-3-7-17)15-24-21(25)19-8-4-5-16-11-14-26-20(16)19/h1-8,18H,9-15,23H2,(H,24,25);1-8,11,14,18H,9-10,12-13,15,23H2,(H,24,25)
InChIKeyMDTREDONMWQLRT-UHFFFAOYSA-N
MW698.91 g/mol
LogP7.19
Rot. Bonds8

About N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 159537450) has the molecular formula C44H50N4O4 and a molecular weight of 698.91 g/mol. Its IUPAC name is N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID159537450
Molecular FormulaC44H50N4O4
Molecular Weight698.91 g/mol
Exact Mass698.38
IUPAC NameN-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESNC1CCC(CNC(=O)c2cccc3c2OCC3)(c2ccccc2)CC1.NC1CCC(CNC(=O)c2cccc3ccoc23)(c2ccccc2)CC1
InChIInChI=1S/C22H26N2O2.C22H24N2O2/c2*23-18-9-12-22(13-10-18,17-6-2-1-3-7-17)15-24-21(25)19-8-4-5-16-11-14-26-20(16)19/h1-8,18H,9-15,23H2,(H,24,25);1-8,11,14,18H,9-10,12-13,15,23H2,(H,24,25)
InChIKeyMDTREDONMWQLRT-UHFFFAOYSA-N
XLogP7.19
TPSA132.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.91
LogP ≤ 57.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide with MolForge

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Related Compounds

prop-2-enyl N-[4-[(2,3-dihydro-1-benzofuran-7-carbonylamino)methyl]-4-phenylcyclohexyl]carbamate
CID 18009518
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide
CID 142821690
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18227470
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1340930
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026801
2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119945234
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
2-morpholin-4-yl-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 77085484
(4-aminooxan-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114748063

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 159537450) is N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is NC1CCC(CNC(=O)c2cccc3c2OCC3)(c2ccccc2)CC1.NC1CCC(CNC(=O)c2cccc3ccoc23)(c2ccccc2)CC1.
What is the InChIKey of N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is MDTREDONMWQLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.C22H24N2O2/c2*23-18-9-12-22(13-10-18,17-6-2-1-3-7-17)15-24-21(25)19-8-4-5-16-11-14-26-20(16)19/h1-8,18H,9-15,23H2,(H,24,25);1-8,11,14,18H,9-10,12-13,15,23H2,(H,24,25).
What are the key properties of N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 698.91 g/mol, XLogP of 7.19, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 159537450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).