[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C19H25N3O4 — CID 7228984

IUPAC[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25N3O4/c1-22-4-2-3-15(22)17(24)26-11-16(23)20-18(25)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14H,5-11H2,1H3,(H2,20,21,23,25)
InChIKeyKWRWHKLXDUVIGT-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.98
Rot. Bonds4

About [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 7228984) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID7228984
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25N3O4/c1-22-4-2-3-15(22)17(24)26-11-16(23)20-18(25)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14H,5-11H2,1H3,(H2,20,21,23,25)
InChIKeyKWRWHKLXDUVIGT-UHFFFAOYSA-N
XLogP1.98
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7260860
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786029
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
CID 7874624
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 16527888
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 16505271
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821444
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2R)-2-phenylbutanoate
CID 8753901
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2485089
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854032
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 4841465
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 51919981
[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3977392

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 7228984) is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is KWRWHKLXDUVIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-22-4-2-3-15(22)17(24)26-11-16(23)20-18(25)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14H,5-11H2,1H3,(H2,20,21,23,25).
What are the key properties of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 7228984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).