2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide

C15H27N3O3 — CID 3235937

IUPAC2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide
SMILESCCC(C)(NC(=O)CNC(C)=O)C(=O)NC1CCCCC1
InChIInChI=1S/C15H27N3O3/c1-4-15(3,18-13(20)10-16-11(2)19)14(21)17-12-8-6-5-7-9-12/h12H,4-10H2,1-3H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyPNVRMQYAUXPYHN-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.86
Rot. Bonds6

About 2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide

2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide (PubChem CID 3235937) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide.

Molecular Properties

Compound Name2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide
PubChem CID3235937
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide
SMILESCCC(C)(NC(=O)CNC(C)=O)C(=O)NC1CCCCC1
InChIInChI=1S/C15H27N3O3/c1-4-15(3,18-13(20)10-16-11(2)19)14(21)17-12-8-6-5-7-9-12/h12H,4-10H2,1-3H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyPNVRMQYAUXPYHN-UHFFFAOYSA-N
XLogP0.86
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide?
The IUPAC name of 2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide (CID 3235937) is 2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide.
What is the SMILES notation for 2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide?
The canonical SMILES for 2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide is CCC(C)(NC(=O)CNC(C)=O)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide?
The InChIKey is PNVRMQYAUXPYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-15(3,18-13(20)10-16-11(2)19)14(21)17-12-8-6-5-7-9-12/h12H,4-10H2,1-3H3,(H,16,19)(H,17,21)(H,18,20).
What are the key properties of 2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide?
2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide has a molecular weight of 297.40 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamidoacetyl)amino]-N-cyclohexyl-2-methylbutanamide is sourced from PubChem (CID 3235937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).