N-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide

C20H26N2O2 — CID 90676376

IUPACN-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide
SMILESCCC1=C(C)/C(=C/c2ccc(C(=O)NC(N)=O)cc2)CCC1(C)C
InChIInChI=1S/C20H26N2O2/c1-5-17-13(2)16(10-11-20(17,3)4)12-14-6-8-15(9-7-14)18(23)22-19(21)24/h6-9,12H,5,10-11H2,1-4H3,(H3,21,22,23,24)/b16-12+
InChIKeyUPLPODLSOFJAMY-FOWTUZBSSA-N
MW326.44 g/mol
LogP4.43
Rot. Bonds3

About N-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide

N-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide (PubChem CID 90676376) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide.

Molecular Properties

Compound NameN-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide
PubChem CID90676376
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide
SMILESCCC1=C(C)/C(=C/c2ccc(C(=O)NC(N)=O)cc2)CCC1(C)C
InChIInChI=1S/C20H26N2O2/c1-5-17-13(2)16(10-11-20(17,3)4)12-14-6-8-15(9-7-14)18(23)22-19(21)24/h6-9,12H,5,10-11H2,1-4H3,(H3,21,22,23,24)/b16-12+
InChIKeyUPLPODLSOFJAMY-FOWTUZBSSA-N
XLogP4.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide?
The IUPAC name of N-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide (CID 90676376) is N-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide.
What is the SMILES notation for N-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide?
The canonical SMILES for N-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide is CCC1=C(C)/C(=C/c2ccc(C(=O)NC(N)=O)cc2)CCC1(C)C.
What is the InChIKey of N-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide?
The InChIKey is UPLPODLSOFJAMY-FOWTUZBSSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-17-13(2)16(10-11-20(17,3)4)12-14-6-8-15(9-7-14)18(23)22-19(21)24/h6-9,12H,5,10-11H2,1-4H3,(H3,21,22,23,24)/b16-12+.
What are the key properties of N-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide?
N-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide has a molecular weight of 326.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-4-[(E)-(3-ethyl-2,4,4-trimethylcyclohex-2-en-1-ylidene)methyl]benzamide is sourced from PubChem (CID 90676376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).