(15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C26H25NO — CID 1238678

IUPAC(15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C26H25NO/c1-2-10-22-23-18-13-6-8-15-20(18)24(21-16-9-7-14-19(21)23)25(22)26(28)27-17-11-4-3-5-12-17/h3-9,11-16,22-25H,2,10H2,1H3,(H,27,28)/t22-,23?,24?,25-/m0/s1
InChIKeyKXKWGUOBESJNJC-AATYUJHQSA-N
MW367.49 g/mol
LogP5.95
Rot. Bonds4

About (15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

(15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 1238678) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is (15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name(15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID1238678
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name(15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C26H25NO/c1-2-10-22-23-18-13-6-8-15-20(18)24(21-16-9-7-14-19(21)23)25(22)26(28)27-17-11-4-3-5-12-17/h3-9,11-16,22-25H,2,10H2,1H3,(H,27,28)/t22-,23?,24?,25-/m0/s1
InChIKeyKXKWGUOBESJNJC-AATYUJHQSA-N
XLogP5.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 7046409
(15R,16S)-16-ethyl-N-(4-methylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1238493
16-[(4-ethoxyphenyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 2838145
16-[(4-ethoxycarbonylphenyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 3764153
ethyl (1S,2S,3R)-2-(hydrazinecarbonyl)-3-(phenylcarbamoyl)cyclopropane-1-carboxylate
CID 11876592
N-(3,5-dichlorophenyl)-16-propan-2-yltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 4197716
(15S,16S)-16-[(3-nitrophenyl)carbamoyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 6990180
(1R,2S,3R,4S)-2-N,3-N-diphenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 11897377
1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid
CID 67468915
(3aS,4S,5R,7aS)-5-pentyl-N-phenyl-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxamide
CID 139206534
(1S,2R,3R,4R)-3-(phenylcarbamoyl)-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 27485869
(5R)-N-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 175368389

Frequently Asked Questions

What is the IUPAC name of (15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of (15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 1238678) is (15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for (15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for (15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1.
What is the InChIKey of (15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is KXKWGUOBESJNJC-AATYUJHQSA-N. The full InChI is InChI=1S/C26H25NO/c1-2-10-22-23-18-13-6-8-15-20(18)24(21-16-9-7-14-19(21)23)25(22)26(28)27-17-11-4-3-5-12-17/h3-9,11-16,22-25H,2,10H2,1H3,(H,27,28)/t22-,23?,24?,25-/m0/s1.
What are the key properties of (15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
(15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,16S)-N-phenyl-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 1238678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).