N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide

C18H28N2O2 — CID 7149964

IUPACN-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide
SMILESC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCC1
InChIInChI=1S/C18H28N2O2/c1-12(16(21)20-4-2-3-5-20)19-17(22)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,2-11H2,1H3,(H,19,22)/t12-,13?,14?,15?,18?/m0/s1
InChIKeyLLBDJAHXANQXDW-IHWZXDPASA-N
MW304.43 g/mol
LogP2.33
Rot. Bonds3

About N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide

N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide (PubChem CID 7149964) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide
PubChem CID7149964
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide
SMILESC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCC1
InChIInChI=1S/C18H28N2O2/c1-12(16(21)20-4-2-3-5-20)19-17(22)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,2-11H2,1H3,(H,19,22)/t12-,13?,14?,15?,18?/m0/s1
InChIKeyLLBDJAHXANQXDW-IHWZXDPASA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]adamantane-1-carboxamide
CID 46115453
N-[2-oxo-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]adamantane-1-carboxamide
CID 51122491
N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide
CID 9269218
N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide
CID 9254937
1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113408761
N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7432877
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7090487
[2-(azocan-1-yl)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate
CID 8632735
1-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60944631
1-(aminomethyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 115447896
N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 146427466
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide (CID 7149964) is N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide is C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCC1.
What is the InChIKey of N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide?
The InChIKey is LLBDJAHXANQXDW-IHWZXDPASA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12(16(21)20-4-2-3-5-20)19-17(22)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,2-11H2,1H3,(H,19,22)/t12-,13?,14?,15?,18?/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide?
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 7149964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).