N-benzyladamantane-2-carboxamide

C18H23NO — CID 51191471

IUPACN-benzyladamantane-2-carboxamide
SMILESO=C(NCc1ccccc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H23NO/c20-18(19-11-12-4-2-1-3-5-12)17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-17H,6-11H2,(H,19,20)
InChIKeyJGJLGVYXTFHRJI-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.38
Rot. Bonds3

About N-benzyladamantane-2-carboxamide

N-benzyladamantane-2-carboxamide (PubChem CID 51191471) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-benzyladamantane-2-carboxamide.

Molecular Properties

Compound NameN-benzyladamantane-2-carboxamide
PubChem CID51191471
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-benzyladamantane-2-carboxamide
SMILESO=C(NCc1ccccc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H23NO/c20-18(19-11-12-4-2-1-3-5-12)17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-17H,6-11H2,(H,19,20)
InChIKeyJGJLGVYXTFHRJI-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)methyl]adamantane-2-carboxamide
CID 81100708
N-(pyridin-3-ylmethyl)adamantane-2-carboxamide
CID 46532026
cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide
CID 101216317
(1R,2S,3S,4S)-3-(benzylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylate
CID 11859332
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
(1S,2R,4S,5S,6R,7R)-7-(benzylcarbamoyl)tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 124718862
(1S,2S,3R,4R)-3-amino-N-benzylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 130757036
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
16-(benzylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 6611403
N-[(4-aminopyrimidin-2-yl)methyl]adamantane-2-carboxamide
CID 167953611

Frequently Asked Questions

What is the IUPAC name of N-benzyladamantane-2-carboxamide?
The IUPAC name of N-benzyladamantane-2-carboxamide (CID 51191471) is N-benzyladamantane-2-carboxamide.
What is the SMILES notation for N-benzyladamantane-2-carboxamide?
The canonical SMILES for N-benzyladamantane-2-carboxamide is O=C(NCc1ccccc1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-benzyladamantane-2-carboxamide?
The InChIKey is JGJLGVYXTFHRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-18(19-11-12-4-2-1-3-5-12)17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-17H,6-11H2,(H,19,20).
What are the key properties of N-benzyladamantane-2-carboxamide?
N-benzyladamantane-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyladamantane-2-carboxamide is sourced from PubChem (CID 51191471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).