N-(1-cyanopropan-2-yl)adamantane-1-carboxamide

C15H22N2O — CID 55032517

IUPACN-(1-cyanopropan-2-yl)adamantane-1-carboxamide
SMILESCC(CC#N)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N2O/c1-10(2-3-16)17-14(18)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,2,4-9H2,1H3,(H,17,18)
InChIKeyDTSOPZMHXVWFLQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.62
Rot. Bonds3

About N-(1-cyanopropan-2-yl)adamantane-1-carboxamide

N-(1-cyanopropan-2-yl)adamantane-1-carboxamide (PubChem CID 55032517) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)adamantane-1-carboxamide
PubChem CID55032517
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(1-cyanopropan-2-yl)adamantane-1-carboxamide
SMILESCC(CC#N)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N2O/c1-10(2-3-16)17-14(18)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,2,4-9H2,1H3,(H,17,18)
InChIKeyDTSOPZMHXVWFLQ-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-2-yladamantane-1-carboxamide
CID 4093732
N-[(1R)-1-(1-adamantyl)ethyl]adamantane-1-carboxamide
CID 7065184
N-[(2S)-1-[4-(cyanomethyl)anilino]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 9260626
N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
CID 65315657
N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7432877
N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 51175307
N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 146427466
N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide
CID 40570555
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7090487
(2S)-2-(adamantane-1-carbonylamino)butanoic acid
CID 7128727
(2R)-2-(adamantane-1-carbonylamino)-4-methylpentanoate
CID 7128707
(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide
CID 62093737

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)adamantane-1-carboxamide (CID 55032517) is N-(1-cyanopropan-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)adamantane-1-carboxamide is CC(CC#N)NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-cyanopropan-2-yl)adamantane-1-carboxamide?
The InChIKey is DTSOPZMHXVWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2-3-16)17-14(18)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,2,4-9H2,1H3,(H,17,18).
What are the key properties of N-(1-cyanopropan-2-yl)adamantane-1-carboxamide?
N-(1-cyanopropan-2-yl)adamantane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 55032517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).