N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide

C20H29N3O3 — CID 3531170

IUPACN-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide
SMILESCC(C)CN(CC(=O)Nc1ccon1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H29N3O3/c1-13(2)11-23(12-18(24)21-17-3-4-26-22-17)19(25)20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,13-16H,5-12H2,1-2H3,(H,21,22,24)
InChIKeyYJQCXYNWZWCPBS-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.31
Rot. Bonds6

About N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide

N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 3531170) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide
PubChem CID3531170
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide
SMILESCC(C)CN(CC(=O)Nc1ccon1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H29N3O3/c1-13(2)11-23(12-18(24)21-17-3-4-26-22-17)19(25)20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,13-16H,5-12H2,1-2H3,(H,21,22,24)
InChIKeyYJQCXYNWZWCPBS-UHFFFAOYSA-N
XLogP3.31
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide (CID 3531170) is N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide is CC(C)CN(CC(=O)Nc1ccon1)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is YJQCXYNWZWCPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-13(2)11-23(12-18(24)21-17-3-4-26-22-17)19(25)20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,13-16H,5-12H2,1-2H3,(H,21,22,24).
What are the key properties of N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide?
N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 3531170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).