(5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate

C28H34N2O3 — CID 91004116

IUPAC(5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate
SMILESCN(C)C1(CCc2ccccc2)CCC(NC(=O)Oc2ccc(Cc3ccccc3)o2)CC1
InChIInChI=1S/C28H34N2O3/c1-30(2)28(18-15-22-9-5-3-6-10-22)19-16-24(17-20-28)29-27(31)33-26-14-13-25(32-26)21-23-11-7-4-8-12-23/h3-14,24H,15-21H2,1-2H3,(H,29,31)
InChIKeyYJQZYWNFSHCDQS-UHFFFAOYSA-N
MW446.59 g/mol
LogP5.83
Rot. Bonds8

About (5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate

(5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate (PubChem CID 91004116) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is (5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Name(5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate
PubChem CID91004116
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name(5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate
SMILESCN(C)C1(CCc2ccccc2)CCC(NC(=O)Oc2ccc(Cc3ccccc3)o2)CC1
InChIInChI=1S/C28H34N2O3/c1-30(2)28(18-15-22-9-5-3-6-10-22)19-16-24(17-20-28)29-27(31)33-26-14-13-25(32-26)21-23-11-7-4-8-12-23/h3-14,24H,15-21H2,1-2H3,(H,29,31)
InChIKeyYJQZYWNFSHCDQS-UHFFFAOYSA-N
XLogP5.83
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate?
The IUPAC name of (5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate (CID 91004116) is (5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate.
What is the SMILES notation for (5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate?
The canonical SMILES for (5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate is CN(C)C1(CCc2ccccc2)CCC(NC(=O)Oc2ccc(Cc3ccccc3)o2)CC1.
What is the InChIKey of (5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate?
The InChIKey is YJQZYWNFSHCDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-30(2)28(18-15-22-9-5-3-6-10-22)19-16-24(17-20-28)29-27(31)33-26-14-13-25(32-26)21-23-11-7-4-8-12-23/h3-14,24H,15-21H2,1-2H3,(H,29,31).
What are the key properties of (5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate?
(5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate has a molecular weight of 446.59 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzylfuran-2-yl) N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]carbamate is sourced from PubChem (CID 91004116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).