(5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide

C20H25NO — CID 98185678

IUPAC(5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide
SMILESC=CCNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C20H25NO/c1-2-8-21-18(22)20-12-15-9-16(13-20)11-19(10-15,14-20)17-6-4-3-5-7-17/h2-7,15-16H,1,8-14H2,(H,21,22)/t15-,16-,19?,20?/m1/s1
InChIKeyVNGAZHYLRZZOQZ-JZFKGDSASA-N
MW295.43 g/mol
LogP3.83
Rot. Bonds4

About (5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide

(5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide (PubChem CID 98185678) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide.

Molecular Properties

Compound Name(5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide
PubChem CID98185678
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide
SMILESC=CCNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C20H25NO/c1-2-8-21-18(22)20-12-15-9-16(13-20)11-19(10-15,14-20)17-6-4-3-5-7-17/h2-7,15-16H,1,8-14H2,(H,21,22)/t15-,16-,19?,20?/m1/s1
InChIKeyVNGAZHYLRZZOQZ-JZFKGDSASA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R,7R)-3-(4-methylphenyl)-N-prop-2-enyladamantane-1-carboxamide
CID 98185677
(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 52990919
(5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide
CID 39898183
3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide
CID 51109928
(5S,7S)-N-[(3,4-dimethoxyphenyl)methyl]-3-phenyladamantane-1-carboxamide
CID 98367386
2-(methylamino)-1-[(5S,7S)-3-phenyl-1-adamantyl]ethanone
CID 98161313
(5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide
CID 98586974
3-[4-[4-(3-carboxy-1-adamantyl)phenyl]phenyl]adamantane-1-carboxylic acid
CID 14511576
(2-amino-2-oxoethyl) (5S,7S)-3-phenyladamantane-1-carboxylate
CID 98406265
N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide
CID 52990873
(5S,7R)-N-(1-adamantylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 7312500

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide?
The IUPAC name of (5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide (CID 98185678) is (5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide.
What is the SMILES notation for (5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide?
The canonical SMILES for (5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide is C=CCNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of (5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide?
The InChIKey is VNGAZHYLRZZOQZ-JZFKGDSASA-N. The full InChI is InChI=1S/C20H25NO/c1-2-8-21-18(22)20-12-15-9-16(13-20)11-19(10-15,14-20)17-6-4-3-5-7-17/h2-7,15-16H,1,8-14H2,(H,21,22)/t15-,16-,19?,20?/m1/s1.
What are the key properties of (5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide?
(5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide is sourced from PubChem (CID 98185678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).