[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate

C22H30N2O5 — CID 651722

IUPAC[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCc1ccc2c(c1)N(CC(=O)OC(CC(C)C)C(=O)NC1CCCC1)C(=O)CO2
InChIInChI=1S/C22H30N2O5/c1-14(2)10-19(22(27)23-16-6-4-5-7-16)29-21(26)12-24-17-11-15(3)8-9-18(17)28-13-20(24)25/h8-9,11,14,16,19H,4-7,10,12-13H2,1-3H3,(H,23,27)
InChIKeyRNCQMTDTXJTXSM-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.74
Rot. Bonds7

About [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate

[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate (PubChem CID 651722) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
PubChem CID651722
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCc1ccc2c(c1)N(CC(=O)OC(CC(C)C)C(=O)NC1CCCC1)C(=O)CO2
InChIInChI=1S/C22H30N2O5/c1-14(2)10-19(22(27)23-16-6-4-5-7-16)29-21(26)12-24-17-11-15(3)8-9-18(17)28-13-20(24)25/h8-9,11,14,16,19H,4-7,10,12-13H2,1-3H3,(H,23,27)
InChIKeyRNCQMTDTXJTXSM-UHFFFAOYSA-N
XLogP2.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate with MolForge

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Related Compounds

2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043
Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate
CID 4430867
2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
CID 2763839
4H-1,4-Benzoxazine-4-acetamide,2,3-dihydro-N-(2-methoxy-5-methylphenyl)-6-methyl-3-oxo-(9CI)
CID 1455749
N-(2-fluorophenyl)-2-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
CID 1455757
4-[2-(4-Hydroxy-piperidin-1-yl)-2-oxo-ethyl]-6-methyl-4H-benzo[1,4]oxazin-3-one
CID 1455770
N-(2-Methoxy-5-methyl-phenyl)-2-morpholin-4-yl-propionamide
CID 2942225
N-Cyclopropyl-2-(2-ethyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-acetamide
CID 3155025
2-(6-Methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155030
N-(2,6-Dimethyl-phenyl)-2-(2-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-acetamide
CID 3224951
N-Cyclopropyl-2-(2-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-acetamide
CID 3224963
6-Methyl-4-[2-(2-methyl-piperidin-1-yl)-2-oxo-ethyl]-4H-benzo[1,4]oxazin-3-one
CID 3225007

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate (CID 651722) is [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate is Cc1ccc2c(c1)N(CC(=O)OC(CC(C)C)C(=O)NC1CCCC1)C(=O)CO2.
What is the InChIKey of [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate?
The InChIKey is RNCQMTDTXJTXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-14(2)10-19(22(27)23-16-6-4-5-7-16)29-21(26)12-24-17-11-15(3)8-9-18(17)28-13-20(24)25/h8-9,11,14,16,19H,4-7,10,12-13H2,1-3H3,(H,23,27).
What are the key properties of [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate?
[1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate has a molecular weight of 402.49 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 651722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).