(15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C27H27NO — CID 7046409

IUPAC(15R,16R)-N-(3-methylphenyl)-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)Nc1cccc(C)c1
InChIInChI=1S/C27H27NO/c1-3-9-23-24-19-12-4-6-14-21(19)25(22-15-7-5-13-20(22)24)26(23)27(29)28-18-11-8-10-17(2)16-18/h4-8,10-16,23-26H,3,9H2,1-2H3,(H,28,29)/t23-,24?,25?,26-/m1/s1
InChIKeyPZMULTNJAJQBLJ-ZMVDSDSOSA-N
MW381.52 g/mol
LogP6.26
Rot. Bonds4

About (15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

(15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 7046409) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is (15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound Name(15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID7046409
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name(15R,16R)-N-(3-methylphenyl)-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)Nc1cccc(C)c1
InChIInChI=1S/C27H27NO/c1-3-9-23-24-19-12-4-6-14-21(19)25(22-15-7-5-13-20(22)24)26(23)27(29)28-18-11-8-10-17(2)16-18/h4-8,10-16,23-26H,3,9H2,1-2H3,(H,28,29)/t23-,24?,25?,26-/m1/s1
InChIKeyPZMULTNJAJQBLJ-ZMVDSDSOSA-N
XLogP6.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Related Compounds

(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
2-N,3-N-bis(3-methylphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 3104582
(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5285511
4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144346
N-(3-methylphenyl)acetamide
CID 10843
(1R,2R,3S,4S)-3-[(3-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18555574
(1R,2R,3S,4R)-3-[(3-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124681328
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
N-(3-methylphenyl)-1,1-dioxothiane-4-carboxamide
CID 110856707
(1S,2S,3S,4R)-3-[(3-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 7034679
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
1-N,1-N-diethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139304

Frequently Asked Questions

What is the IUPAC name of (15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of (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) is (15R,16R)-N-(3-methylphenyl)-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 (15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for (15R,16R)-N-(3-methylphenyl)-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)Nc1cccc(C)c1.
What is the InChIKey of (15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is PZMULTNJAJQBLJ-ZMVDSDSOSA-N. The full InChI is InChI=1S/C27H27NO/c1-3-9-23-24-19-12-4-6-14-21(19)25(22-15-7-5-13-20(22)24)26(23)27(29)28-18-11-8-10-17(2)16-18/h4-8,10-16,23-26H,3,9H2,1-2H3,(H,28,29)/t23-,24?,25?,26-/m1/s1.
What are the key properties of (15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
(15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,16R)-N-(3-methylphenyl)-16-propyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 7046409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).