4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide

C18H29N3O3 — CID 49452380

IUPAC4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCOC(C(N)=O)C1
InChIInChI=1S/C18H29N3O3/c1-11(21-2-3-24-15(10-21)16(19)22)17(23)20-18-7-12-4-13(8-18)6-14(5-12)9-18/h11-15H,2-10H2,1H3,(H2,19,22)(H,20,23)
InChIKeyUNGGIYOZOQQSAO-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.65
Rot. Bonds4

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

4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide (PubChem CID 49452380) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide
PubChem CID49452380
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCOC(C(N)=O)C1
InChIInChI=1S/C18H29N3O3/c1-11(21-2-3-24-15(10-21)16(19)22)17(23)20-18-7-12-4-13(8-18)6-14(5-12)9-18/h11-15H,2-10H2,1H3,(H2,19,22)(H,20,23)
InChIKeyUNGGIYOZOQQSAO-UHFFFAOYSA-N
XLogP0.65
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide?
The IUPAC name of 4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide (CID 49452380) is 4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for 4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide is CC(C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCOC(C(N)=O)C1.
What is the InChIKey of 4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide?
The InChIKey is UNGGIYOZOQQSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-11(21-2-3-24-15(10-21)16(19)22)17(23)20-18-7-12-4-13(8-18)6-14(5-12)9-18/h11-15H,2-10H2,1H3,(H2,19,22)(H,20,23).
What are the key properties of 4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide?
4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-adamantylamino)-1-oxopropan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 49452380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).