(2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate

C28H34N2O3 — CID 67357556

IUPAC(2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate
SMILESCc1oc(-c2ccccc2)cc1OC(=O)NCC1CCC(C(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C28H34N2O3/c1-20-25(18-26(32-20)22-10-6-4-7-11-22)33-28(31)29-19-21-14-16-24(17-15-21)27(30(2)3)23-12-8-5-9-13-23/h4-13,18,21,24,27H,14-17,19H2,1-3H3,(H,29,31)
InChIKeySMIZFUBYJMAEQD-UHFFFAOYSA-N
MW446.59 g/mol
LogP6.45
Rot. Bonds7

About (2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate

(2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate (PubChem CID 67357556) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is (2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Name(2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate
PubChem CID67357556
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name(2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate
SMILESCc1oc(-c2ccccc2)cc1OC(=O)NCC1CCC(C(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C28H34N2O3/c1-20-25(18-26(32-20)22-10-6-4-7-11-22)33-28(31)29-19-21-14-16-24(17-15-21)27(30(2)3)23-12-8-5-9-13-23/h4-13,18,21,24,27H,14-17,19H2,1-3H3,(H,29,31)
InChIKeySMIZFUBYJMAEQD-UHFFFAOYSA-N
XLogP6.45
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate?
The IUPAC name of (2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate (CID 67357556) is (2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate.
What is the SMILES notation for (2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate?
The canonical SMILES for (2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate is Cc1oc(-c2ccccc2)cc1OC(=O)NCC1CCC(C(c2ccccc2)N(C)C)CC1.
What is the InChIKey of (2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate?
The InChIKey is SMIZFUBYJMAEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-20-25(18-26(32-20)22-10-6-4-7-11-22)33-28(31)29-19-21-14-16-24(17-15-21)27(30(2)3)23-12-8-5-9-13-23/h4-13,18,21,24,27H,14-17,19H2,1-3H3,(H,29,31).
What are the key properties of (2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate?
(2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate has a molecular weight of 446.59 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 67357556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).