N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide

C24H36N2O — CID 2802703

IUPACN-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide
SMILESCC12CCC(C1)C(C)(C)C2NCC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H36N2O/c1-23(2)18-14-15-24(3,16-18)22(23)25-17-21(27)26(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,18,20,22,25H,5,8-9,12-17H2,1-3H3
InChIKeyUESVZIGYWSMKFB-UHFFFAOYSA-N
MW368.57 g/mol
LogP5.16
Rot. Bonds5

About N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide

N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide (PubChem CID 2802703) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide
PubChem CID2802703
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC NameN-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide
SMILESCC12CCC(C1)C(C)(C)C2NCC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H36N2O/c1-23(2)18-14-15-24(3,16-18)22(23)25-17-21(27)26(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,18,20,22,25H,5,8-9,12-17H2,1-3H3
InChIKeyUESVZIGYWSMKFB-UHFFFAOYSA-N
XLogP5.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide?
The IUPAC name of N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide (CID 2802703) is N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide.
What is the SMILES notation for N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide?
The canonical SMILES for N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide is CC12CCC(C1)C(C)(C)C2NCC(=O)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide?
The InChIKey is UESVZIGYWSMKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-23(2)18-14-15-24(3,16-18)22(23)25-17-21(27)26(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4,6-7,10-11,18,20,22,25H,5,8-9,12-17H2,1-3H3.
What are the key properties of N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide?
N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide has a molecular weight of 368.57 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-phenyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide is sourced from PubChem (CID 2802703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).