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

C17H29N3O3 — CID 3978661

IUPAC1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)NC1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C17H29N3O3/c1-13(21)18-12-15(22)20-17(10-6-3-7-11-17)16(23)19-14-8-4-2-5-9-14/h14H,2-12H2,1H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyMEOZIRGLGNICBN-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.39
Rot. Bonds5

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

1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide (PubChem CID 3978661) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide
PubChem CID3978661
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)NC1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C17H29N3O3/c1-13(21)18-12-15(22)20-17(10-6-3-7-11-17)16(23)19-14-8-4-2-5-9-14/h14H,2-12H2,1H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyMEOZIRGLGNICBN-UHFFFAOYSA-N
XLogP1.39
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
The IUPAC name of 1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide (CID 3978661) is 1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide is CC(=O)NCC(=O)NC1(C(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of 1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
The InChIKey is MEOZIRGLGNICBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13(21)18-12-15(22)20-17(10-6-3-7-11-17)16(23)19-14-8-4-2-5-9-14/h14H,2-12H2,1H3,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of 1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide?
1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamidoacetyl)amino]-N-cyclohexylcyclohexane-1-carboxamide is sourced from PubChem (CID 3978661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).