[(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate

C19H25NO3 — CID 155810833

IUPAC[(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate
SMILESC[C@@H](C[C@H](CCOC(=O)N(C)C)c1ccccc1)c1ccoc1
InChIInChI=1S/C19H25NO3/c1-15(18-9-11-22-14-18)13-17(16-7-5-4-6-8-16)10-12-23-19(21)20(2)3/h4-9,11,14-15,17H,10,12-13H2,1-3H3/t15-,17-/m0/s1
InChIKeySXDPGWGUFWSWOL-RDJZCZTQSA-N
MW315.41 g/mol
LogP4.65
Rot. Bonds7

About [(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate

[(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate (PubChem CID 155810833) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is [(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate
PubChem CID155810833
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name[(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate
SMILESC[C@@H](C[C@H](CCOC(=O)N(C)C)c1ccccc1)c1ccoc1
InChIInChI=1S/C19H25NO3/c1-15(18-9-11-22-14-18)13-17(16-7-5-4-6-8-16)10-12-23-19(21)20(2)3/h4-9,11,14-15,17H,10,12-13H2,1-3H3/t15-,17-/m0/s1
InChIKeySXDPGWGUFWSWOL-RDJZCZTQSA-N
XLogP4.65
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-5-(2-methylpropyl)-3-[(5-phenylfuran-2-yl)methylidene]furan-2(3H)-one
CID 1918570
3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide
CID 661862
4-(Furan-3-Yl)Benzaldehyde
CID 21526045
3-Phenylfuran
CID 518802
3-(2-Isopropyl-5-methylbenzyl)furan
CID 642120
N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 2946691
3-(Furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 2964472
N-benzyl-N-[3-(furan-2-yl)-4-methylpentyl]propanamide
CID 3798987
3-(furan-2-yl)-3-phenyl-N,N-dipropylpropanamide
CID 3847276
Ethyl 2-cyano-3-(furan-2-yl)-4-phenylbutanoate
CID 664955
6-Acetyl-3-(furan-2-yl)-5-phenylcyclohex-2-en-1-one
CID 3241602
propan-2-yl (2E)-3-(furan-2-yl)-2-phenylprop-2-enoate
CID 1870446

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate?
The IUPAC name of [(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate (CID 155810833) is [(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate.
What is the SMILES notation for [(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate?
The canonical SMILES for [(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate is C[C@@H](C[C@H](CCOC(=O)N(C)C)c1ccccc1)c1ccoc1.
What is the InChIKey of [(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate?
The InChIKey is SXDPGWGUFWSWOL-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H25NO3/c1-15(18-9-11-22-14-18)13-17(16-7-5-4-6-8-16)10-12-23-19(21)20(2)3/h4-9,11,14-15,17H,10,12-13H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of [(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate?
[(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate has a molecular weight of 315.41 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-(furan-3-yl)-3-phenylhexyl] N,N-dimethylcarbamate is sourced from PubChem (CID 155810833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).