[(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate

C23H27NO3 — CID 155809297

IUPAC[(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate
SMILESC[C@@H](C[C@H](CCOC(=O)N(C)C)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C23H27NO3/c1-17(22-16-20-11-7-8-12-21(20)27-22)15-19(18-9-5-4-6-10-18)13-14-26-23(25)24(2)3/h4-12,16-17,19H,13-15H2,1-3H3/t17-,19-/m0/s1
InChIKeyICNVQSYIWXXKDS-HKUYNNGSSA-N
MW365.47 g/mol
LogP5.80
Rot. Bonds7

About [(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate

[(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate (PubChem CID 155809297) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate
PubChem CID155809297
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate
SMILESC[C@@H](C[C@H](CCOC(=O)N(C)C)c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C23H27NO3/c1-17(22-16-20-11-7-8-12-21(20)27-22)15-19(18-9-5-4-6-10-18)13-14-26-23(25)24(2)3/h4-12,16-17,19H,13-15H2,1-3H3/t17-,19-/m0/s1
InChIKeyICNVQSYIWXXKDS-HKUYNNGSSA-N
XLogP5.80
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate 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

[(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate
CID 155810833
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712
2-(4-bromopentan-2-yl)-1-benzofuran
CID 114733955
(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylheptan-1-ol
CID 155814254
2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran
CID 134949472
(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(carbamoylamino)-3-phenylpropanamide
CID 26132466
4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
CID 120559534
2-butan-2-yl-1-benzofuran
CID 12065919
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone
CID 114726260
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
benzhydryl 1-benzofuran-2-carboxylate
CID 7210554

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate?
The IUPAC name of [(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate (CID 155809297) is [(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate.
What is the SMILES notation for [(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate?
The canonical SMILES for [(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate is C[C@@H](C[C@H](CCOC(=O)N(C)C)c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of [(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate?
The InChIKey is ICNVQSYIWXXKDS-HKUYNNGSSA-N. The full InChI is InChI=1S/C23H27NO3/c1-17(22-16-20-11-7-8-12-21(20)27-22)15-19(18-9-5-4-6-10-18)13-14-26-23(25)24(2)3/h4-12,16-17,19H,13-15H2,1-3H3/t17-,19-/m0/s1.
What are the key properties of [(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate?
[(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate has a molecular weight of 365.47 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-(1-benzofuran-2-yl)-3-phenylhexyl] N,N-dimethylcarbamate is sourced from PubChem (CID 155809297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).