1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide

C22H33N3O4 — CID 3240475

IUPAC1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C22H33N3O4/c1-17(26)23-15-20(27)25(16-19-11-8-14-29-19)22(12-6-3-7-13-22)21(28)24-18-9-4-2-5-10-18/h8,11,14,18H,2-7,9-10,12-13,15-16H2,1H3,(H,23,26)(H,24,28)
InChIKeyWVGZHHUXTMLFKH-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.90
Rot. Bonds7

About 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide

1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide (PubChem CID 3240475) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide
PubChem CID3240475
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C22H33N3O4/c1-17(26)23-15-20(27)25(16-19-11-8-14-29-19)22(12-6-3-7-13-22)21(28)24-18-9-4-2-5-10-18/h8,11,14,18H,2-7,9-10,12-13,15-16H2,1H3,(H,23,26)(H,24,28)
InChIKeyWVGZHHUXTMLFKH-UHFFFAOYSA-N
XLogP2.90
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
The IUPAC name of 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide (CID 3240475) is 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide is CC(=O)NCC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
The InChIKey is WVGZHHUXTMLFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-17(26)23-15-20(27)25(16-19-11-8-14-29-19)22(12-6-3-7-13-22)21(28)24-18-9-4-2-5-10-18/h8,11,14,18H,2-7,9-10,12-13,15-16H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamidoacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexylcyclohexane-1-carboxamide is sourced from PubChem (CID 3240475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).