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

C16H27N3O3 — CID 3242198

IUPAC1-[(2-acetamidoacetyl)amino]-N-cyclopentylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)NC1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C16H27N3O3/c1-12(20)17-11-14(21)19-16(9-5-2-6-10-16)15(22)18-13-7-3-4-8-13/h13H,2-11H2,1H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyVFALSQLFPSZSHQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.00
Rot. Bonds5

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

1-[(2-acetamidoacetyl)amino]-N-cyclopentylcyclohexane-1-carboxamide (PubChem CID 3242198) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[(2-acetamidoacetyl)amino]-N-cyclopentylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamidoacetyl)amino]-N-cyclopentylcyclohexane-1-carboxamide
PubChem CID3242198
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name1-[(2-acetamidoacetyl)amino]-N-cyclopentylcyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)NC1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C16H27N3O3/c1-12(20)17-11-14(21)19-16(9-5-2-6-10-16)15(22)18-13-7-3-4-8-13/h13H,2-11H2,1H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyVFALSQLFPSZSHQ-UHFFFAOYSA-N
XLogP1.00
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.00
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-cyclopentylcyclohexane-1-carboxamide?
The IUPAC name of 1-[(2-acetamidoacetyl)amino]-N-cyclopentylcyclohexane-1-carboxamide (CID 3242198) is 1-[(2-acetamidoacetyl)amino]-N-cyclopentylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2-acetamidoacetyl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2-acetamidoacetyl)amino]-N-cyclopentylcyclohexane-1-carboxamide is CC(=O)NCC(=O)NC1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of 1-[(2-acetamidoacetyl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
The InChIKey is VFALSQLFPSZSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12(20)17-11-14(21)19-16(9-5-2-6-10-16)15(22)18-13-7-3-4-8-13/h13H,2-11H2,1H3,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of 1-[(2-acetamidoacetyl)amino]-N-cyclopentylcyclohexane-1-carboxamide?
1-[(2-acetamidoacetyl)amino]-N-cyclopentylcyclohexane-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 1.00, 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-cyclopentylcyclohexane-1-carboxamide is sourced from PubChem (CID 3242198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).