4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide

C17H27N3O3 — CID 49452272

IUPAC4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CCO1
InChIInChI=1S/C17H27N3O3/c18-16(22)14-9-20(1-2-23-14)10-15(21)19-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-14H,1-10H2,(H2,18,22)(H,19,21)
InChIKeyVNOQPQFSNFWIPF-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.26
Rot. Bonds4

About 4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide

4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide (PubChem CID 49452272) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide
PubChem CID49452272
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CCO1
InChIInChI=1S/C17H27N3O3/c18-16(22)14-9-20(1-2-23-14)10-15(21)19-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-14H,1-10H2,(H2,18,22)(H,19,21)
InChIKeyVNOQPQFSNFWIPF-UHFFFAOYSA-N
XLogP0.26
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide?
The IUPAC name of 4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide (CID 49452272) is 4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide is NC(=O)C1CN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CCO1.
What is the InChIKey of 4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide?
The InChIKey is VNOQPQFSNFWIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c18-16(22)14-9-20(1-2-23-14)10-15(21)19-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-14H,1-10H2,(H2,18,22)(H,19,21).
What are the key properties of 4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide?
4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-adamantylamino)-2-oxoethyl]morpholine-2-carboxamide is sourced from PubChem (CID 49452272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).