N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide

C23H38N4O5 — CID 57304209

IUPACN-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
SMILESCCCCC(NC(=O)C1(NC(=O)N2CCOCC2)CCCCC1)C(=O)C(=O)NC1CCC1
InChIInChI=1S/C23H38N4O5/c1-2-3-10-18(19(28)20(29)24-17-8-7-9-17)25-21(30)23(11-5-4-6-12-23)26-22(31)27-13-15-32-16-14-27/h17-18H,2-16H2,1H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyOVCDHZQGRYLIQR-UHFFFAOYSA-N
MW450.58 g/mol
LogP1.64
Rot. Bonds9

About N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide

N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide (PubChem CID 57304209) has the molecular formula C23H38N4O5 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
PubChem CID57304209
Molecular FormulaC23H38N4O5
Molecular Weight450.58 g/mol
Exact Mass450.28
IUPAC NameN-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
SMILESCCCCC(NC(=O)C1(NC(=O)N2CCOCC2)CCCCC1)C(=O)C(=O)NC1CCC1
InChIInChI=1S/C23H38N4O5/c1-2-3-10-18(19(28)20(29)24-17-8-7-9-17)25-21(30)23(11-5-4-6-12-23)26-22(31)27-13-15-32-16-14-27/h17-18H,2-16H2,1H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyOVCDHZQGRYLIQR-UHFFFAOYSA-N
XLogP1.64
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide (CID 57304209) is N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide is CCCCC(NC(=O)C1(NC(=O)N2CCOCC2)CCCCC1)C(=O)C(=O)NC1CCC1.
What is the InChIKey of N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?
The InChIKey is OVCDHZQGRYLIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O5/c1-2-3-10-18(19(28)20(29)24-17-8-7-9-17)25-21(30)23(11-5-4-6-12-23)26-22(31)27-13-15-32-16-14-27/h17-18H,2-16H2,1H3,(H,24,29)(H,25,30)(H,26,31).
What are the key properties of N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?
N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 1.64, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide is sourced from PubChem (CID 57304209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).