[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

C19H26N2O4 — CID 8610955

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H26N2O4/c1-14(2)12-20-18(24)21-16(22)13-25-17(23)19(10-6-7-11-19)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H2,20,21,22,24)
InChIKeyDEAXMHKPYXZNAG-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.52
Rot. Bonds6

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (PubChem CID 8610955) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
PubChem CID8610955
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H26N2O4/c1-14(2)12-20-18(24)21-16(22)13-25-17(23)19(10-6-7-11-19)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H2,20,21,22,24)
InChIKeyDEAXMHKPYXZNAG-UHFFFAOYSA-N
XLogP2.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455392
[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenylcyclopentane-1-carboxylate
CID 18075665
[2-(2-methylpropylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526930
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8807699
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate
CID 2113866
[2-oxo-2-(propylcarbamoylamino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866334
[2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566951
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
CID 27097419
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46790788
[2-(butylcarbamoylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8949977

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (CID 8610955) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is CC(C)CNC(=O)NC(=O)COC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The InChIKey is DEAXMHKPYXZNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14(2)12-20-18(24)21-16(22)13-25-17(23)19(10-6-7-11-19)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H2,20,21,22,24).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 8610955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).