4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide

C24H33N3O4 — CID 649117

IUPAC4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C24H33N3O4/c1-24(2)23(30)27(15-21(28)25-17-8-4-3-5-9-17)19-14-16(12-13-20(19)31-24)22(29)26-18-10-6-7-11-18/h12-14,17-18H,3-11,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyFZEXVLHPMPEBFB-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.31
Rot. Bonds5

About 4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide

4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 649117) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID649117
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C24H33N3O4/c1-24(2)23(30)27(15-21(28)25-17-8-4-3-5-9-17)19-14-16(12-13-20(19)31-24)22(29)26-18-10-6-7-11-18/h12-14,17-18H,3-11,15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyFZEXVLHPMPEBFB-UHFFFAOYSA-N
XLogP3.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide (CID 649117) is 4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide is CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)NC2CCCCC2)C1=O.
What is the InChIKey of 4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is FZEXVLHPMPEBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-24(2)23(30)27(15-21(28)25-17-8-4-3-5-9-17)19-14-16(12-13-20(19)31-24)22(29)26-18-10-6-7-11-18/h12-14,17-18H,3-11,15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopentyl-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 649117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).