(4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate

C17H24ClNO2 — CID 46887780

IUPAC(4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2/c1-11(2)15-9-4-12(3)10-16(15)19-17(20)21-14-7-5-13(18)6-8-14/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,19,20)/t12-,15+,16-/m1/s1
InChIKeyPWGMGXOCMBFCFO-UHOFOFEASA-N
MW309.84 g/mol
LogP4.89
Rot. Bonds3

About (4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate

(4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate (PubChem CID 46887780) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate
PubChem CID46887780
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name(4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H24ClNO2/c1-11(2)15-9-4-12(3)10-16(15)19-17(20)21-14-7-5-13(18)6-8-14/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,19,20)/t12-,15+,16-/m1/s1
InChIKeyPWGMGXOCMBFCFO-UHOFOFEASA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate?
The IUPAC name of (4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate (CID 46887780) is (4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate.
What is the SMILES notation for (4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate?
The canonical SMILES for (4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate?
The InChIKey is PWGMGXOCMBFCFO-UHOFOFEASA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-11(2)15-9-4-12(3)10-16(15)19-17(20)21-14-7-5-13(18)6-8-14/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,19,20)/t12-,15+,16-/m1/s1.
What are the key properties of (4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate?
(4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate has a molecular weight of 309.84 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate is sourced from PubChem (CID 46887780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).