N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide

C20H23N3O2 — CID 108922974

IUPACN-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide
SMILESN#CCC(=O)Nc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H23N3O2/c21-6-5-18(24)22-16-3-1-2-4-17(16)23-19(25)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15H,5,7-12H2,(H,22,24)(H,23,25)
InChIKeyYXPVXPWWMGSEGF-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.69
Rot. Bonds4

About N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide

N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide (PubChem CID 108922974) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide
PubChem CID108922974
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide
SMILESN#CCC(=O)Nc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H23N3O2/c21-6-5-18(24)22-16-3-1-2-4-17(16)23-19(25)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15H,5,7-12H2,(H,22,24)(H,23,25)
InChIKeyYXPVXPWWMGSEGF-UHFFFAOYSA-N
XLogP3.69
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]adamantane-1-carboxamide
CID 108924095
2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide
CID 108923007
N-(2-butan-2-ylphenyl)adamantane-1-carboxamide
CID 4795537
N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide
CID 171577010
N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide
CID 10784818
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide
CID 108922941
N-[3-(2-iodoanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 17490902
N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide
CID 3908305
N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 8570754
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
N-(benzenecarbonothioyl)adamantane-1-carboxamide
CID 135032274
N-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)adamantane-1-carboxamide
CID 6616573

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide (CID 108922974) is N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide is N#CCC(=O)Nc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide?
The InChIKey is YXPVXPWWMGSEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-6-5-18(24)22-16-3-1-2-4-17(16)23-19(25)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15H,5,7-12H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide?
N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 108922974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).