N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide

C18H30N2O2 — CID 47798207

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
SMILESCC(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-10(16(21)20-18(2,3)4)19-17(22)15-13-6-11-5-12(8-13)9-14(15)7-11/h10-15H,5-9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyBXQPQNBOIKYFKZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.48
Rot. Bonds3

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide (PubChem CID 47798207) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
PubChem CID47798207
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
SMILESCC(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-10(16(21)20-18(2,3)4)19-17(22)15-13-6-11-5-12(8-13)9-14(15)7-11/h10-15H,5-9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyBXQPQNBOIKYFKZ-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide (CID 47798207) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide is CC(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide?
The InChIKey is BXQPQNBOIKYFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-10(16(21)20-18(2,3)4)19-17(22)15-13-6-11-5-12(8-13)9-14(15)7-11/h10-15H,5-9H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide is sourced from PubChem (CID 47798207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).