6-benzylidene-3-phenyladamantane-1-carboxamide

C24H25NO — CID 162754646

IUPAC6-benzylidene-3-phenyladamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC(C1)C3=Cc1ccccc1)C2
InChIInChI=1S/C24H25NO/c25-22(26)24-14-18-12-23(16-24,20-9-5-2-6-10-20)13-19(15-24)21(18)11-17-7-3-1-4-8-17/h1-11,18-19H,12-16H2,(H2,25,26)/b21-11-
InChIKeyJJYJYRXLDQNXPP-NHDPSOOVSA-N
MW343.47 g/mol
LogP4.70
Rot. Bonds3

About 6-benzylidene-3-phenyladamantane-1-carboxamide

6-benzylidene-3-phenyladamantane-1-carboxamide (PubChem CID 162754646) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 6-benzylidene-3-phenyladamantane-1-carboxamide.

Molecular Properties

Compound Name6-benzylidene-3-phenyladamantane-1-carboxamide
PubChem CID162754646
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name6-benzylidene-3-phenyladamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC(C1)C3=Cc1ccccc1)C2
InChIInChI=1S/C24H25NO/c25-22(26)24-14-18-12-23(16-24,20-9-5-2-6-10-20)13-19(15-24)21(18)11-17-7-3-1-4-8-17/h1-11,18-19H,12-16H2,(H2,25,26)/b21-11-
InChIKeyJJYJYRXLDQNXPP-NHDPSOOVSA-N
XLogP4.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-6-propylideneadamantane-1-carboxamide
CID 166909043
(6Z)-6-(2-methoxyethylidene)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 162525990
azane;deuterioethane;methane;3-phenyladamantane-1-carboxamide;3-phenyladamantane-1-carboxylic acid
CID 158928866
methyl 6-methylidene-3-phenyladamantane-1-carboxylate
CID 162754718
N-[4-(aminomethyl)cyclohexyl]-6-(cyclopropylmethylidene)-3-phenyladamantane-1-carboxamide
CID 175627195
(3R,5R)-3-methyl-5-phenyladamantane-1-carboxamide
CID 137435862
N-(4-aminocyclohexyl)-3-phenyl-6-(3,3,3-trifluoropropylidene)adamantane-1-carboxamide
CID 162525365
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[6-(2-methyliminoethylidene)-3-phenyl-1-adamantyl]methanone
CID 175635779
2-[5-[(4S)-4-amino-3,3-dimethylpiperidine-1-carbonyl]-7-phenyl-2-adamantylidene]acetonitrile
CID 162526129
(3-phenyl-6-prop-2-ynylidene-1-adamantyl)-[(4S)-3,3,4-trimethylpiperidin-1-yl]methanone
CID 175623619
(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
6-methylidene-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxylic acid
CID 162525958

Frequently Asked Questions

What is the IUPAC name of 6-benzylidene-3-phenyladamantane-1-carboxamide?
The IUPAC name of 6-benzylidene-3-phenyladamantane-1-carboxamide (CID 162754646) is 6-benzylidene-3-phenyladamantane-1-carboxamide.
What is the SMILES notation for 6-benzylidene-3-phenyladamantane-1-carboxamide?
The canonical SMILES for 6-benzylidene-3-phenyladamantane-1-carboxamide is NC(=O)C12CC3CC(c4ccccc4)(CC(C1)C3=Cc1ccccc1)C2.
What is the InChIKey of 6-benzylidene-3-phenyladamantane-1-carboxamide?
The InChIKey is JJYJYRXLDQNXPP-NHDPSOOVSA-N. The full InChI is InChI=1S/C24H25NO/c25-22(26)24-14-18-12-23(16-24,20-9-5-2-6-10-20)13-19(15-24)21(18)11-17-7-3-1-4-8-17/h1-11,18-19H,12-16H2,(H2,25,26)/b21-11-.
What are the key properties of 6-benzylidene-3-phenyladamantane-1-carboxamide?
6-benzylidene-3-phenyladamantane-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylidene-3-phenyladamantane-1-carboxamide is sourced from PubChem (CID 162754646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).