[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

C20H26N2O5 — CID 648822

IUPAC[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCC(C)C(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C20H26N2O5/c1-13(2)19(20(25)21-14-7-3-4-8-14)27-18(24)11-22-15-9-5-6-10-16(15)26-12-17(22)23/h5-6,9-10,13-14,19H,3-4,7-8,11-12H2,1-2H3,(H,21,25)
InChIKeyIBGQXYDUANQBRJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.04
Rot. Bonds6

About [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate (PubChem CID 648822) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
PubChem CID648822
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCC(C)C(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C20H26N2O5/c1-13(2)19(20(25)21-14-7-3-4-8-14)27-18(24)11-22-15-9-5-6-10-16(15)26-12-17(22)23/h5-6,9-10,13-14,19H,3-4,7-8,11-12H2,1-2H3,(H,21,25)
InChIKeyIBGQXYDUANQBRJ-UHFFFAOYSA-N
XLogP2.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate with MolForge

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate
CID 8630574
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 9383337
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 9463774
4-(2-cyclopentyl-2-hydroxyethyl)-1,4-benzoxazin-3-one
CID 104753134
[1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 55321705
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 47031609
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 7737421
3-methyl-2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]butanoic acid
CID 119136995
[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 11925964
naphthalen-1-yl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 18886676
4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,4-benzoxazin-3-one
CID 103071657
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7242381

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate (CID 648822) is [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate is CC(C)C(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The InChIKey is IBGQXYDUANQBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-13(2)19(20(25)21-14-7-3-4-8-14)27-18(24)11-22-15-9-5-6-10-16(15)26-12-17(22)23/h5-6,9-10,13-14,19H,3-4,7-8,11-12H2,1-2H3,(H,21,25).
What are the key properties of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate has a molecular weight of 374.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 648822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).